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(3-R,1'-R,2'-R)-1'-METHYL-2'-PARA-NITROBENZOYLOXYMETHYLCYCLOPENTAN-4'-ONE-2-PROPENYL-3-BENZOATE;MAJOR_ISOMER
SpectraBase Compound ID H50aPUKyLUG
InChI InChI=1S/C24H23NO7/c1-3-21(32-23(28)16-7-5-4-6-8-16)24(2)14-20(26)13-18(24)15-31-22(27)17-9-11-19(12-10-17)25(29)30/h3-12,18,21H,1,13-15H2,2H3/t18-,21+,24-/m0/s1
InChIKey HIBAVALCBZWXHH-VNZMSGEBSA-N
Mol Weight 437.45 g/mol
Molecular Formula C24H23NO7
Exact Mass 437.147452 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BNpCwrE2yt
Name (3-R,1'-R,2'-R)-1'-METHYL-2'-PARA-NITROBENZOYLOXYMETHYLCYCLOPENTAN-4'-ONE-2-PROPENYL-3-BENZOATE;MAJOR_ISOMER
Compound Number 27B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H23NO7
InChI InChI=1S/C24H23NO7/c1-3-21(32-23(28)16-7-5-4-6-8-16)24(2)14-20(26)13-18(24)15-31-22(27)17-9-11-19(12-10-17)25(29)30/h3-12,18,21H,1,13-15H2,2H3/t18-,21+,24-/m0/s1
InChIKey HIBAVALCBZWXHH-VNZMSGEBSA-N
Literature Reference Author A.J.WOOD,D.J.HOLT,M.C.DOMINGUEZ,P.R.JENKINS
Literature Reference Citation J.ORG.CHEM.,63,8522(1998)
Literature Reference DOI 10.1021/jo981225j
Molecular Weight 437.449 g/mol
Sample ID 26862
Solvent CDCl3