(C) ACD $$.RPT.( V 2.0 )!r ??r,OArial,Arial,Arial,Arial,Arial, Arial,Times,Times,Times,Times,Times,Times,Times, ^ CCDEuC@DECCCDECCCDECAFT 'Sample C03 (C:A-02), Fall 2002 Unknownsr 8EuCEEC>EC8EuCEEuC8EuCEEuCAFT 28 Apr 2003s 8ECEEC>EC8ECEEC8ECEECAFT D. R. Mowreyp &CCDCUCC&CCDC&CCDCAFTq Name Codes VDCV2DCV5DCVDCV2DCVDCV2DCAFT C03 (C:A-02)l xwRDC[DCKDCxwRDC[DCxwRDC[DCAFTqClassp QDCDCDCQDCDCDCQDCAFT Fall 2002i "DC"DC"DC"DC"DC"DC"DCAFTqFWo xDCxDCxGDCxDCxDCxDCxDCAFT184.2338n E ECE ECEECE ECE ECE ECE ECAFTqFormula EC&EC"ECEC&ECEC&ECAFT|C13H12Oq &CCDCUCC&CCDC&CCDCAFTq Solvent(s)l VDCVDCV5DCVDCVDCVDCVDCAFTcCDCl3z xwRDC[DCKDCxwRDC[DCxwRDC[DCAFTqMass of Sample Usedn QDC1DCDCQDC1DCQDC1DCAFTw51.6 mgq "DC"DC"DC"DC"DC"DC"DCAFTq Mass Spec.s xDCECxwDCxDCECxDCECAFT 184.1_____EIv E ECE ECEECE ECE ECE ECE ECAFTqMass Spec Log #k EC#EC^!ECEC#ECEC#ECAFTJ3667r &CCDCUCC&CCDC&CCDCAFTq Operator(s)u VDCV=DCVDCVDCV=DCVDCV=DCAFTJonathan Grimmk xwRDC[DCKDCxwRDC[DCxwRDC[DCAFTqm.p.r QDCѪDCDCQDCѪDCQDCѪDCAFT 74.0-74.8 Cu "DC"DC"DC"DC"DC"DC"DCAFTqSynthesized byt xDCKECx'DCxDCKECxDCKECAFT J. A. Johnsonp E ECE ECEECE ECE ECE ECE ECAFTq Key Wordsi ECn!EC> ECECn!ECECn!ECAFT&??l &CCDDUCC&CCDC&CCDCAFTqNotes VDCDDDCVDCDCVDCDCAFTaComplex multiplets at 3.0 and 7.25 ppm--couplings not defined; assignments of aromatic H's unsure4CCLNDCLNDCCC 4LNDC͌DC͌DCLNDC 4͌DCECEC͌DC 4ECDECDECEC 4CCLNDCLNDCCC 4LNDC͌DC͌DCLNDC 4͌DCECEC͌DC 4ECDECDECEC 4CCLNDCLNDCCC 4LNDC͌DC͌DCLNDC 4͌DCECEC͌DC 4ECDECDECEC 4CCECEDCD } &C@ D*DDVշCD&C@ D*D@ D&C@ D*D@ DAFTAcquisition Time (sec)m V D@ DVU#DDVDDV D@ DVU#D@ DV D@ DVU#D@ DAFTe1.5729n \atD@ DpDDPDD\atD@ DpD@ D\atD@ DpD@ DAFTCommenti fD@ DDD6DDfD@ DD@ DfD@ DD@ DAFT-EXk D@ DEDDDD@ DE@ DD@ DE@ DAFTDate{ E@ D EDEDE@ D E@ DE@ D E@ DAFT411/09/2002 18:06:17p &CD*D@ DVշCD&CD*DD&CD*DDAFT File Name V DDTAE@ DDDV DDUAEDV DDTAEDAFT \\babylon5\nmrdata\UWChem Unknowns\2002-fall Chem636 unknowns - chemsketch+chemdraw+automation data - from cgfry local nmrdata\C03 - Jonathan Grimm\SB110F.102v &C@ D*D+DVշC&D&C@ D*D@ D&C@ D*D@ DAFTFrequency (MHz)l V D@ DVD+DVuD&DV D@ DVD@ DV D@ DVD@ DAFTS75.40n \atD@ DpD+DPD&D\atD@ DpD@ D\atD@ DpD@ DAFTNucleusj fD@ D&D+DFD&DfD@ D&D@ DfD@ D&D@ DAFT>13C{ D@ DE+DD&DD@ DE@ DD@ DE@ DAFTNumber of Transientsj E@ D` E+D E&DE@ D` E@ DE@ D` E@ DAFT8192| &C+D*D@7DVշC1D&C+D*D+D&C+D*D+DAFTOriginal Points Countl V D+DV!D@7DVD1DV D+DV!D+DV D+DV!D+DAFT\32768s \atD+DpD@7DPD1D\atD+DpD+D\atD+DpD+DAFT Points Countl fD+DD@7D&D1DfD+DD+DfD+DD+DAFT\32768w D+DE@7DD1DD+DE+DD+DE+DAFTSweep Width (Hz)o E+DpE@7D( E1DE+DpE+DE+DpE+DAFT20833.33} &C@7D*DBDVշC=D&C@7D*D@7D&C@7D*D@7DAFTTemperature (degree C)m V D@7DVU#DBDVD=DV D@7DVU#D@7DV D@7DVU#D@7DAFTe24.0004C@ D6pD@ D6pDDCD 46pD@ DvD@ DvDD6pDD 4vD@ DDE@ DDEDvDD 4CDDEDDE@ DC@ D 4C@ D6pD@ D6pD+DC+D 46pD@ DvD@ DvD+D6pD+D 4vD@ DDE@ DDE+DvD+D 4C+D6pD+D6pD@7DC@7D 46pD+DvD+DvD@7D6pD@7D 4vD+DDE+DDE@7DvD@7D 4C@7D6pD@7D6pDBDCBD $=,?5"ECvD1$=,?6"ED1%=,?103EAomD1$=,?73EaD1$=,?9`ECvD1$=,?8`ED1$=,?4%EomD1$=,?3)EDvD1$=,?1%EaD1$=,?2)ED1%=,?13&E)\D1%=,?12(+EPZD1%=,?11,EsjD1%=,?14+^-E5KD1%=,?1aK$ED1%=,?1b'E0D1%=,?2a*E8D1%=,?2bB-E[?D1&=,?11aW(0En}aD1&=,?11b;/ExOrD1=,?  =,?V ) =,?  =,? : =,?V ?) %=,?  =,? % >=,?  =,? o zf =,? g =,?   =,?   =,?  $g >=,?R z\ K=,?u kb K=,?  ; (=,?   =,?  j o=,?   q=,?  ; Z=,?   =,?   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126.96(8)#'5-B[^A'5-B[^AEnBz"B 129.52(10)#,BVB,BVBEnB<]A 129.73(6)#S)+B@S)+B@EnBiB 131.01(13)#B>BB>BEnBA 139.29(5)#3AB3ABEnB2A 175.29(4)#AѝBAѝBEnBAA 207.97(12)iuBiuBA Chloroform-dCDDEDCDDED Chemical Shift (ppm) Intensity  C`DDE"No.(ppm)(Hz)Height 129.672237.30.9593229.782245.51.0000339.853004.70.8796442.623213.90.96225123.459308.70.85286126.499537.60.96767126.969573.20.86978129.529766.50.92559129.739782.30.220710131.019878.40.941611139.2910502.70.316012175.2913217.60.263113207.9715681.30.2192*@DD8EE No.AtomExp. Shift (ppm) 1329.672229.783139.8541142.6257123.4569126.4978126.96810129.5296129.731013131.01115139.29124175.291312207.97{ ??z,NArial,Arial,Arial,Arial,Arial,Arial,Symbol,Times New Roman,Times New Roman, Arial,Times,Times,Times,Times,Times,Times,Times, ^CCDEuC@DECCCDECCCDECAFT 'Sample C03 (C:A-02), Fall 2002 Unknownsr8EuCEEC>EC8EuCEEuC8EuCEEuCAFT 28 Apr 2003s8ECEEC>EC8ECEEC8ECEECAFT D. R. Mowreyp &CCDCUCC&CCDC&CCDCAFTq Name CodesVDCV2DCV5DCVDCV2DCVDCV2DCAFT C03 (C:A-02)l xwRDC[DCKDCxwRDC[DCxwRDC[DCAFTqClasspQDCDCDCQDCDCDCQDCAFT Fall 2002i "DC"DC"DC"DC"DC"DC"DCAFTqFWoxDCxDCxGDCxDCxDCxDCxDCAFT184.2338n E ECE ECEECE ECE ECE ECE ECAFTqFormula EC&EC"ECEC&ECEC&ECAFT|C13H12Oq &CCDCUCC&CCDC&CCDCAFTq Solvent(s)lVDCVDCV5DCVDCVDCVDCVDCAFTcCDCl3z xwRDC[DCKDCxwRDC[DCxwRDC[DCAFTqMass of Sample UsednQDC1DCDCQDC1DCQDC1DCAFTw51.6 mgq "DC"DC"DC"DC"DC"DC"DCAFTq Mass Spec.sxDCECxwDCxDCECxDCECAFT 184.1_____EIv E ECE ECEECE ECE ECE ECE ECAFTqMass Spec Log #kEC#EC^!ECEC#ECEC#ECAFTJ3667r &CCDCUCC&CCDC&CCDCAFTq Operator(s)uVDCV=DCVDCVDCV=DCVDCV=DCAFTJonathan Grimmk xwRDC[DCKDCxwRDC[DCxwRDC[DCAFTqm.p.rQDCѪDCDCQDCѪDCQDCѪDCAFT 74.0-74.8 Cu "DC"DC"DC"DC"DC"DC"DCAFTqSynthesized bytxDCKECx'DCxDCKECxDCKECAFT J. A. Johnsonp E ECE ECEECE ECE ECE ECE ECAFTq Key WordsiECn!EC> ECECn!ECECn!ECAFT&??l &CCDDUCC&CCDC&CCDCAFTqNotesVDCDDDCVDCDCVDCDCAFTaComplex multiplets at 3.0 and 7.25 ppm--couplings not defined; assignments of aromatic H's unsure4CCLNDCLNDCCC 4LNDC͌DC͌DCLNDC 4͌DCECEC͌DC 4ECDECDECEC 4CCLNDCLNDCCC 4LNDC͌DC͌DCLNDC 4͌DCECEC͌DC 4ECDECDECEC 4CCLNDCLNDCCC 4LNDC͌DC͌DCLNDC 4͌DCECEC͌DC 4ECDECDECEC 4CCECEDCD } &C@ D*DDVշCD&C@ D*D@ D&C@ D*D@ DAFTAcquisition Time (sec)mV D@ DVU#DDVDDV D@ DVU#D@ DV D@ DVU#D@ DAFTe2.7197n 'D@ D'DD'۠DD'D@ D'D@ D'D@ D'D@ DAFTComment~D@ D?ED~DD~D@ D?E@ D~D@ D?E@ DAFT07JONATHAN GRIMM, C03 (CHLOROFORM), 1H NMR, BRUKER AC-300k &CD*D@ DVշCD&CD*DD&CD*DDAFTDate{V DDVWD@ DV0DDV DDVWDDV DDVWDDAFT414/11/2002 17:41:39p &C@ D*D+DVշC&D&C@ D*D@ D&C@ D*D@ DAFT File Name\ D@ DU5AE+DD&DV D@ DU5AE@ DU5AE@ D^ D@ DAFT \\babylon5\nmrdata\UWChem Unknowns\2002-fall Chem636 unknowns - chemsketch+chemdraw+automation data - from cgfry local nmrdata\C03 - Jonathan Grimm\NV140F.102v &C+D*D@7DVշC1D&C+D*D+D&C+D*D+DAFTFrequency (MHz)mV D+DVU#D@7DVD1DV D+DVU#D+DV D+DVU#D+DAFTe299.87n 'D+D'D@7D'۠D1D'D+D'D+D'D+D'D+DAFTNucleusi}D+D}pD@7D}D1D}D+D}pD+D}D+D}pD+DAFT,1H{ D+D~pE@7D~ E1DD+D~pE+DD+D~pE+DAFTNumber of Transientsi'kE+D'E@7D'E1D'kE+D'E+D'kE+D'E+DAFT&16| &C@7D*DBDVշC=D&C@7D*D@7D&C@7D*D@7DAFTOriginal Points CountlV D@7DV!DBDVD=DV D@7DV!D@7DV D@7DV!D@7DAFT\16384s 'D@7D'DBD'۠D=D'D@7D'D@7D'D@7D'D@7DAFT Points Countl}D@7D}pDBD}D=D}D@7D}pD@7D}D@7D}pD@7DAFT\32768w D@7D~pEBD~ E=DD@7D~pE@7DD@7D~pE@7DAFTSweep Width (Hz)n'kE@7D'EBD'#E=D'kE@7D'E@7D'kE@7D'E@7DAFTw6024.10} &CBD*D@NDVշCHD&CBD*DBD&CBD*DBDAFTTemperature (degree C)mV DBDVU#D@NDVDHDV DBDVU#DBDV DBDVU#DBDAFTe24.0004C@ DҥD@ DҥDDCD 4ҥD@ DDE@ DDEDҥDD 4CDҥDDҥD@ DC@ D 4C@ DDE@ DDE+DC+D 4C+DҥD+DҥD@7DC@7D 4ҥD+DD+DD@7DҥD@7D 4D+DDE+DDE@7DD@7D 4C@7DҥD@7DҥDBDCBD 4ҥD@7DD@7DDBDҥDBD 4D@7DDE@7DDEBDDBD 4CBDҥDBDҥD@NDC@ND   CUDEErDDcD CUDEEUD CUDEEUDAFT   1H NMR (300 MHz, Solvent) d  ppm 1.7 (m, J)=13.4, 12.3, 12.3, 5.7 Hz, 1 H) 2.2 (dd, J=18.4, 3.5 Hz, 1 H) 2.3 (m, J"=12.9, 4.4, 4.4, 2.6 Hz, 1 H) 2.8 (dd, J)=18.3, 6.5 Hz, 1 H) 3.0 (m, 3 H) 6.4 (d, J0=1.8 Hz, 1 H) 7.3 (m, 2 H) 7.4 (m, 1 H) 7.7 (m, J=7.7, 1.1 Hz, 1 H)$?55e"Ei7D1$?65e"E$D1%?10NE@D1$?7NED1$?9Ei7D1$?8E$D1$?4%E@D1$?3B)E7D1$?1%ED1$?2B)E%D1%?13&ED1%?12F*ED1%?11 5,ED1%?14,EsD1%?1a$ED1%?1b'E9D1%?2aS*EܙD1%?2bI-EbD1&?11a/E D1&?11b7@.EpD1? 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BdB E{Ez E E @J9IB"z&AByATBiABy&B,d?I BoBNDs5D &E" E`bBk@B.lAd)BfgABOlA9BkABAJBB=B1m9B~>I'Z?BB\DEV2eD E &BABAȵBAӅBBB4B(ZBXBA|BnAB5@Bb>BH;B!<? AyAFVDE\D E 8B;ABA BB B쑧Bk;BJ B@iBz!BBBFBB Q@_B^>p`?AlAADEZHD_ E *B?#ARBABtAkbB#B"BxLBW|SB2tuB Bv.B@ӢBU=0B=s?|AUA Chemical Shift (ppm) Intensity  ( ??(, MArial,Arial,Arial, Arial,Times,Times,Times,Times,Times,Times,Times, ^ CCDEuC@DECCCDECCCDECAFT 'Sample C03 (C:A-02), Fall 2002 Unknownsr8EuCEEC>EC8EuCEEuC8EuCEEuCAFT 28 Apr 2003s8ECEEC>EC8ECEEC8ECEECAFT D. R. Mowreyp&CCDCUCC&CCDC&CCDCAFTq Name CodesVDCV2DCV5DCVDCV2DCVDCV2DCAFT C03 (C:A-02)lxwRDC[DCKDCxwRDC[DCxwRDC[DCAFTqClasspQDCDCDCQDCDCDCQDCAFT Fall 2002i"DC"DC"DC"DC"DC"DC"DCAFTqFWoxDCxDCxGDCxDCxDCxDCxDCAFT184.2338nE ECE ECEECE ECE ECE ECE ECAFTqFormulaEC&EC"ECEC&ECEC&ECAFT|C13H12Oq&CCDCUCC&CCDC&CCDCAFTq Solvent(s)lVDCVDCV5DCVDCVDCVDCVDCAFTcCDCl3zxwRDC[DCKDCxwRDC[DCxwRDC[DCAFTqMass of Sample UsednQDC1DCDCQDC1DCQDC1DCAFTw51.6 mgq"DC"DC"DC"DC"DC"DC"DCAFTq Mass Spec.sxDCECxwDCxDCECxDCECAFT 184.1_____EIvE ECE ECEECE ECE ECE ECE ECAFTqMass Spec Log #kEC#EC^!ECEC#ECEC#ECAFTJ3667r&CCDCUCC&CCDC&CCDCAFTq Operator(s)uVDCV=DCVDCVDCV=DCVDCV=DCAFTJonathan GrimmkxwRDC[DCKDCxwRDC[DCxwRDC[DCAFTqm.p.rQDCѪDCDCQDCѪDCQDCѪDCAFT 74.0-74.8 Cu"DC"DC"DC"DC"DC"DC"DCAFTqSynthesized bytxDCKECx'DCxDCKECxDCKECAFT J. A. JohnsonpE ECE ECEECE ECE ECE ECE ECAFTq Key WordsiECn!EC> ECECn!ECECn!ECAFT&??l&CCDDUCC&CCDC&CCDCAFTqNotesVDCDDDCVDCDCVDCDCAFTaComplex multiplets at 3.0 and 7.25 ppm--couplings not defined; assignments of aromatic H's unsure4CCLNDCLNDCCC 4LNDC͌DC͌DCLNDC 4͌DCECEC͌DC 4ECDECDECEC 4CCLNDCLNDCCC 4LNDC͌DC͌DCLNDC 4͌DCECEC͌DC 4ECDECDECEC 4CCLNDCLNDCCC 4LNDC͌DC͌DCLNDC 4͌DCECEC͌DC 4ECDECDECEC 4CCECEDCD }&C@ D*DDVշCD&C@ D*D@ D&C@ D*D@ DAFTAcquisition Time (sec)mV D@ DVU#DDVDDV D@ DVU#D@ DV D@ DVU#D@ DAFTe2.7197n'D@ D'DD'۠DD'D@ D'D@ D'D@ D'D@ DAFTComment~D@ D?ED~DD~D@ D?E@ D~D@ D?E@ DAFT07JONATHAN GRIMM, C03 (CHLOROFORM), 1H NMR, BRUKER AC-300k&CD*D@ DVշCD&CD*DD&CD*DDAFTDate{V DDVWD@ DV0DDV DDVWDDV DDVWDDAFT414/11/2002 17:41:39p&C@ D*D+DVշC&D&C@ D*D@ D&C@ D*D@ DAFT File Name\ D@ DU5AE+DD&DV D@ DU5AE@ DU5AE@ D^ D@ DAFT \\babylon5\nmrdata\UWChem Unknowns\2002-fall Chem636 unknowns - chemsketch+chemdraw+automation data - from cgfry local nmrdata\C03 - Jonathan Grimm\NV140F.102v&C+D*D@7DVշC1D&C+D*D+D&C+D*D+DAFTFrequency (MHz)mV D+DVU#D@7DVD1DV D+DVU#D+DV D+DVU#D+DAFTe299.87n'D+D'D@7D'۠D1D'D+D'D+D'D+D'D+DAFTNucleusi}D+D}pD@7D}D1D}D+D}pD+D}D+D}pD+DAFT,1H{D+D~pE@7D~ E1DD+D~pE+DD+D~pE+DAFTNumber of Transientsi'kE+D'E@7D'E1D'kE+D'E+D'kE+D'E+DAFT&16|&C@7D*DBDVշC=D&C@7D*D@7D&C@7D*D@7DAFTOriginal Points CountlV D@7DV!DBDVD=DV D@7DV!D@7DV D@7DV!D@7DAFT\16384s'D@7D'DBD'۠D=D'D@7D'D@7D'D@7D'D@7DAFT Points Countl}D@7D}pDBD}D=D}D@7D}pD@7D}D@7D}pD@7DAFT\32768wD@7D~pEBD~ E=DD@7D~pE@7DD@7D~pE@7DAFTSweep Width (Hz)n'kE@7D'EBD'#E=D'kE@7D'E@7D'kE@7D'E@7DAFTw6024.10}&CBD*D@NDVշCHD&CBD*DBD&CBD*DBDAFTTemperature (degree C)mV DBDVU#D@NDVDHDV DBDVU#DBDV DBDVU#DBDAFTe24.0004C@ DҥD@ DҥDDCD 4ҥD@ DDE@ DDEDҥDD 4CDҥDDҥD@ DC@ D 4C@ DDE@ DDE+DC+D 4C+DҥD+DҥD@7DC@7D 4ҥD+DD+DD@7DҥD@7D 4D+DDE+DDE@7DD@7D 4C@7DҥD@7DҥDBDCBD 4ҥD@7DD@7DDBDҥDBD 4D@7DDE@7DDEBDDBD 4CBDҥDBDҥD@NDC@ND $OM'? 5E|D1$OM'? 6E_HD1%OM'? 100 EjD1$OM'? 70 EQD1$OM'? 9yE|D1$OM'? 8yE_HD1$OM'? 4]EjD1$OM'? 3,UED1$OM'? 1PEDD1$OM'? 2UEuHD1%OM'? 13ED1%OM'? 12E!D1%OM'? 117EbD1%OM'? 14EٳD1%OM'? 1aED1%OM'? 1beE/D1%OM'? 2a{EcD1%OM'? 2b3bEHD1&OM'? 11aMEzD1&OM'? 11bCEȿD1OM'?  OM'? "  OM'? EOM'? kSOM'? " pWOM'? OM'? XpOM'? }E}OM'? ; 2 OM'? ] 3 OM'? e Ee OM'?  n OM'? ] W3 oOM'?  ( ~OM'? A / ~OM'?  q mi [OM'?   Nn ROM'? t L OM'?   OM'?  u OM'?    OM'?    C D D DONo.Atom1 Multiplet1 Shift1 (ppm) (ppm)J (Hz)TypeH's 12aM031.66[1.57 .. 1.75]13.42m122aM031.66[1.57 .. 1.75]12.32m132aM031.66[1.57 .. 1.75]12.32m142aM031.66[1.57 .. 1.75]5.70m1511aM012.20[2.14 .. 2.24]18.38dd1611aM012.20[2.14 .. 2.24]3.49dd172bM022.29[2.24 .. 2.34]12.87m182bM022.29[2.24 .. 2.34]4.41m192bM022.29[2.24 .. 2.34]4.41m1102bM022.29[2.24 .. 2.34]2.57m11111bM002.78[2.71 .. 2.84]18.29dd11211bM002.78[2.71 .. 2.84]6.53dd113 1b, 1a, 3M043.03[2.91 .. 3.15]-m31413M056.38[6.34 .. 6.42]1.84d1158, 7M087.26[7.19 .. 7.31]-m2169M077.36[7.31 .. 7.41]-m11710M067.65[7.61 .. 7.70]7.72m11810M067.65[7.61 .. 7.70]1.10m1  ?? ,Arial, Arial,CCDEuC@DECCCDECCCDECAFT 'Sample C03 (C:A-02), Fall 2002 Unknownsr8EuCEEC>EC8EuCEEuC8EuCEEuCAFT 28 Apr 2003s8ECEEC>EC8ECEEC8ECEECAFT D. R. MowreymD5D DDC No.(ppm)(Hz)Height 011.59475.60.138621.61481.30.147531.63487.90.264941.63489.00.256251.65493.40.219161.65494.40.304871.67500.10.229681.67501.50.286391.69506.70.2843101.69507.60.2552111.71513.70.1908121.73519.40.1840132.16647.90.6264142.17651.40.6338152.22666.30.7506162.23669.80.7811172.25674.50.1525182.26676.90.1738192.26679.10.2973202.27681.30.3014212.28683.50.1878222.29686.50.2149232.30689.60.1497242.31691.80.2680252.32694.20.2619262.32696.00.1668272.33698.60.1307282.74821.20.7723292.76827.70.9024302.80839.40.6188312.82846.10.7146326.381912.90.9778336.391914.81.0000347.222166.30.4710357.252173.80.7622367.262178.00.6503377.272181.00.1900387.292185.60.4508397.332198.80.4810407.342200.30.5532417.362206.20.5730427.362207.60.6270437.382213.70.2097447.392215.00.2090457.642290.70.6639467.642291.80.6690477.662298.40.6124487.672299.40.6121T@DDE@E**No.AtomExp. Shift (ppm) Multiplet 12a1.66M03211a2.20M0132b2.29M02411b2.78M0051b3.03M0461a3.03M04733.03M048136.38M05987.26M081077.26M081197.36M0712107.65M06cDDED9No. Annotation (ppm) 1TMS-0.00DCEkD.No. (ppm)ValueAbsolute Value 1[1.57 .. 1.75]1.000 2.71110e+72[2.14 .. 2.24]1.015 2.75230e+73[2.24 .. 2.35]1.019 2.76254e+74[2.72 .. 2.85]1.034 2.80411e+75[2.91 .. 3.14]3.001 8.13549e+76[6.34 .. 6.42]0.852 2.31030e+77[7.19 .. 7.31]1.842 4.99385e+78[7.31 .. 7.41]0.877 2.37765e+79[7.60 .. 7.71]0.949 2.57379e+7