For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-6-keto-3-methylol-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester

View entire compound with spectra: 1 NMR

acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-6-keto-3-methylol-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID C8JWmrlbMWR
InChI InChI=1S/C19H32O4/c1-4-6-8-15-16(7-5-2)19(22)18-14(11-23-12(3)21)9-13(10-20)17(15)18/h13-18,20H,4-11H2,1-3H3/t13-,14+,15-,16-,17+,18+/m0/s1
InChIKey ZPPHHNWYNSCLGK-YPLQCARHSA-N
Mol Weight 324.5 g/mol
Molecular Formula C19H32O4
Exact Mass 324.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8xM3YEnjd90
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-4-butyl-6-keto-3-methylol-5-propyl-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H32O4
InChI InChI=1S/C19H32O4/c1-4-6-8-15-16(7-5-2)19(22)18-14(11-23-12(3)21)9-13(10-20)17(15)18/h13-18,20H,4-11H2,1-3H3/t13-,14+,15-,16-,17+,18+/m0/s1
InChIKey ZPPHHNWYNSCLGK-YPLQCARHSA-N
Literature Reference Author A.BECHEANU,A.BARO,S.LASCHAT,W.FREY
Literature Reference Citation EUR.J.ORG.CHEM.,2215(2006)
Literature Reference DOI 10.1002/ejoc.200500966
Molecular Weight 324.461 g/mol
Sample ID 46525
Solvent CDCl3