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2,2'-DIOXO-2,2'-[(EXO-2,EXO-3,EXO-5,EXO-6)-3,5-BIS-[CARBONYL-(PHENYL)-METHYL]-BICYCLO-[2.2.1]-HEPTAN-2,6-DIYL]-BIS-ACETIC-ACID-METHYLESTER
SpectraBase Compound ID GgTOTKIIcnu
InChI InChI=1S/C29H28O8/c1-36-28(34)26(32)24-19-13-18(22(24)20(14-30)16-9-5-3-6-10-16)23(25(19)27(33)29(35)37-2)21(15-31)17-11-7-4-8-12-17/h3-12,14-15,18-25H,13H2,1-2H3/t18-,19+,20?,21?,22-,23+,24-,25+
InChIKey CMHLDFWPPBFRRG-VOJFNBIYSA-N
Mol Weight 504.54 g/mol
Molecular Formula C29H28O8
Exact Mass 504.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOjIbtckVSU
Name 2,2'-DIOXO-2,2'-[(EXO-2,EXO-3,EXO-5,EXO-6)-3,5-BIS-[CARBONYL-(PHENYL)-METHYL]-BICYCLO-[2.2.1]-HEPTAN-2,6-DIYL]-BIS-ACETIC-ACID-METHYLESTER
CAS Registry Number 127280-53-9
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H28O8
InChI InChI=1S/C29H28O8/c1-36-28(34)26(32)24-19-13-18(22(24)20(14-30)16-9-5-3-6-10-16)23(25(19)27(33)29(35)37-2)21(15-31)17-11-7-4-8-12-17/h3-12,14-15,18-25H,13H2,1-2H3/t18-,19+,20?,21?,22-,23+,24-,25+
InChIKey CMHLDFWPPBFRRG-VOJFNBIYSA-N
Literature Reference Author M.CHRISTL,U.LANZENDOERFER,M.M.GROETSCH,E.DITTERICH,J.HEGMANN
Literature Reference Citation CHEM.BER.,123,2031(1990)
Literature Reference DOI 10.1002/cber.19901231014
Molecular Weight 504.537 g/mol
Solvent CDCl3
Source File Reference UWCS14647