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(2S,3R,3aS,4R,6S,6aS)-2-hexyl-3-methyl-4,6-dimethylol-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
SpectraBase Compound ID 9g9Y76lJ9Dd
InChI InChI=1S/C17H30O3/c1-3-4-5-6-7-14-11(2)15-12(9-18)8-13(10-19)16(15)17(14)20/h11-16,18-19H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+/m0/s1
InChIKey OFJNUAXEHVFJQZ-KXKVQDCLSA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8H6CjnhPPPu
Name (2S,3R,3aS,4R,6S,6aS)-2-hexyl-3-methyl-4,6-dimethylol-3,3a,4,5,6,6a-hexahydro-2H-pentalen-1-one
Compound Number 10J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-3-4-5-6-7-14-11(2)15-12(9-18)8-13(10-19)16(15)17(14)20/h11-16,18-19H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16+/m0/s1
InChIKey OFJNUAXEHVFJQZ-KXKVQDCLSA-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 282.423 g/mol
Sample ID 46517
Solvent CDCl3