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(2S,3R,3aS,4R,6S,6aS)-2-amyl-3-butyl-4,6-dimethylol-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
SpectraBase Compound ID D1uGfSx8kDA
InChI InChI=1S/C19H34O3/c1-3-5-7-9-16-15(8-6-4-2)17-13(11-20)10-14(12-21)18(17)19(16)22/h13-18,20-21H,3-12H2,1-2H3/t13-,14+,15-,16-,17+,18+/m0/s1
InChIKey KHIGUBIFQVUKNS-YPLQCARHSA-N
Mol Weight 310.5 g/mol
Molecular Formula C19H34O3
Exact Mass 310.250795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mMn5Cvm09q
Name (2S,3R,3aS,4R,6S,6aS)-2-amyl-3-butyl-4,6-dimethylol-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Compound Number 10H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H34O3
InChI InChI=1S/C19H34O3/c1-3-5-7-9-16-15(8-6-4-2)17-13(11-20)10-14(12-21)18(17)19(16)22/h13-18,20-21H,3-12H2,1-2H3/t13-,14+,15-,16-,17+,18+/m0/s1
InChIKey KHIGUBIFQVUKNS-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 310.477 g/mol
Sample ID 46515
Solvent CDCl3