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(3-R,1'-R,2'-S)-2'-FORMYL-1'-METHYL-3-CYCLOPENTAN-4'-ONE-2-PROPENYL-3-BENZOATE
SpectraBase Compound ID J3YepYl8Ioy
InChI InChI=1S/C17H18O4/c1-3-15(17(2)10-14(19)9-13(17)11-18)21-16(20)12-7-5-4-6-8-12/h3-8,11,13,15H,1,9-10H2,2H3/t13-,15+,17-/m1/s1
InChIKey NHIMWKMHQFTMAH-UKPHBRMFSA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3C8VjoQISMj
Name (3-R,1'-R,2'-S)-2'-FORMYL-1'-METHYL-3-CYCLOPENTAN-4'-ONE-2-PROPENYL-3-BENZOATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-3-15(17(2)10-14(19)9-13(17)11-18)21-16(20)12-7-5-4-6-8-12/h3-8,11,13,15H,1,9-10H2,2H3/t13-,15+,17-/m1/s1
InChIKey NHIMWKMHQFTMAH-UKPHBRMFSA-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 286.328 g/mol
Sample ID 26860
Solvent CDCl3