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

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acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-hexyl-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
SpectraBase Compound ID D5DUsMcdKDI
InChI InChI=1S/C19H32O4/c1-4-5-6-7-8-16-12(2)17-14(10-20)9-15(11-23-13(3)21)18(17)19(16)22/h12,14-18,20H,4-11H2,1-3H3/t12-,14-,15+,16-,17-,18+/m0/s1
InChIKey GPFKWSDKBIFENO-ZPUCZNJJSA-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

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SpectraBase Spectrum ID K3Ch7l1NiRv
Name acetic acid [(1S,3R,3aS,4R,5S,6aS)-5-hexyl-6-keto-4-methyl-3-methylol-2,3,3a,4,5,6a-hexahydro-1H-pentalen-1-yl]methyl ester
Compound Number 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H32O4
InChI InChI=1S/C19H32O4/c1-4-5-6-7-8-16-12(2)17-14(10-20)9-15(11-23-13(3)21)18(17)19(16)22/h12,14-18,20H,4-11H2,1-3H3/t12-,14-,15+,16-,17-,18+/m0/s1
InChIKey GPFKWSDKBIFENO-ZPUCZNJJSA-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 46533
Solvent CDCl3