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object
{15}
_id
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8uAY2vN38qj
spectrumID
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8uAY2vN38qj
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:91970:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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compound
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(4E,23E)-9,28-DIOXO-2,2,7,12,12,21,21,26,31,31-DECA-(METHOXYCARBONYL)-[13(2)]-PARACYCLOPHAN-4,23-DIENE
SpectraBase Compound ID 4qOI5Qs1nfe
InChI InChI=1S/C58H72O22/c1-71-46(61)36-80-55(70)57(52(67)77-7)28-13-11-15-42(48(63)73-3)32-45(60)26-29-58(53(68)78-8,54(69)79-9)35-40-22-20-39(21-23-40)33-56(50(65)75-5,51(66)76-6)27-12-10-14-41(47(62)72-2)31-44(59)25-24-43(49(64)74-4)30-37-16-18-38(34-57)19-17-37/h10-13,16-23,41-43H,14-15,24-36H2,1-9H3/b12-10-,13-11-
InChIKey FSJAAYOYBLWQOA-MIMPSMLTSA-N
Mol Weight 1121.2 g/mol
Molecular Formula C58H72O22
Exact Mass 1120.451524 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uAY2vN38qj
Name (4E,23E)-9,28-DIOXO-2,2,7,12,12,21,21,26,31,31-DECA-(METHOXYCARBONYL)-[13(2)]-PARACYCLOPHAN-4,23-DIENE
Compound Number 32
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C58H72O22
InChI InChI=1S/C58H72O22/c1-71-46(61)36-80-55(70)57(52(67)77-7)28-13-11-15-42(48(63)73-3)32-45(60)26-29-58(53(68)78-8,54(69)79-9)35-40-22-20-39(21-23-40)33-56(50(65)75-5,51(66)76-6)27-12-10-14-41(47(62)72-2)31-44(59)25-24-43(49(64)74-4)30-37-16-18-38(34-57)19-17-37/h10-13,16-23,41-43H,14-15,24-36H2,1-9H3/b12-10-,13-11-
InChIKey FSJAAYOYBLWQOA-MIMPSMLTSA-N
Literature Reference Author A.ULLMANN,M.GRUNER,H.U.REISSIG
Literature Reference Citation CHEM.EUR.J.,5,187(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990104)5:1<187::aid-chem187>3.3.co;2-4
Molecular Weight 1121.196 g/mol
Solvent CDCl3
Source File Reference UWRU9583
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