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(2S,3aS,7aR)-2-(phenylthiomethyl)octahydro-1H-inden-3a-ol
SpectraBase Compound ID K6rh7qF5TSQ
InChI InChI=1S/C16H22OS/c17-16-9-5-4-6-14(16)10-13(11-16)12-18-15-7-2-1-3-8-15/h1-3,7-8,13-14,17H,4-6,9-12H2/t13-,14+,16-/m0/s1
InChIKey PDHTUIHBMFGIOJ-LZWOXQAQSA-N
Mol Weight 262.41 g/mol
Molecular Formula C16H22OS
Exact Mass 262.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bAe5K41buG
Name (2S,3aS,7aR)-2-(phenylthiomethyl)octahydro-1H-inden-3a-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22OS
InChI InChI=1S/C16H22OS/c17-16-9-5-4-6-14(16)10-13(11-16)12-18-15-7-2-1-3-8-15/h1-3,7-8,13-14,17H,4-6,9-12H2/t13-,14+,16-/m0/s1
InChIKey PDHTUIHBMFGIOJ-LZWOXQAQSA-N
Literature Reference DOI 10.1021/ol901818j
Molecular Weight 262.411 g/mol
SMILES O[C@@]12CCCC[C@]2([H])C[C@](CSc2ccccc2)(C1)[H]
SPLASH splash10-0002-2920000000-ee360d6a48421e54939c
Source of Spectrum A1-11-4576/SMS5-10
Synonyms (2S,3aS,7aR)-2-((phenylthio)methyl)octahydro-1H-inden-3a-ol
Wiley ID 1757477