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8-Acetoxypatchouli Alcohol
SpectraBase Compound ID HSFwCiQVErV
InChI InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12-,13+,14+,16-,17-/m0/s1
InChIKey RAPAFGOPSFDECW-QLROVLMHSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Gcwk0LIpB2
Name 8-Acetoxypatchouli Alcohol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-10-6-7-17(19)15(3,4)13-8-12(10)16(17,5)9-14(13)20-11(2)18/h10,12-14,19H,6-9H2,1-5H3/t10-,12-,13+,14+,16-,17-/m0/s1
InChIKey RAPAFGOPSFDECW-QLROVLMHSA-N
Literature Reference DOI 10.1002/cbdv.200590087
Molecular Weight 280.408 g/mol
SMILES O[C@@]12[C@@]3([C@@]([H])(C[C@](C2(C)C)([H])[C@@](C3)(OC(C)=O)[H])[C@@](C)(CC1)[H])C
SPLASH splash10-056r-4900000000-e0fb9c1bc156bac1a97b
Source of Spectrum CBD-2-1181-3
Synonyms (1S,4S,4aS,6S,7R,8aS)-1-hydroxy-4,8a,9,9-tetramethyldecahydro-1,6-methanonaphthalen-7-yl acetate
Wiley ID 1790235