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(2S,3aS,6aR)-2-(Phenylthiomethyl)ocahydropentalen-3a-ol
SpectraBase Compound ID CLrh4zEu4oj
InChI InChI=1S/C15H20OS/c16-15-8-4-5-13(15)9-12(10-15)11-17-14-6-2-1-3-7-14/h1-3,6-7,12-13,16H,4-5,8-11H2/t12-,13+,15-/m0/s1
InChIKey JDIRLUJLXCQKFA-GUTXKFCHSA-N
Mol Weight 248.38 g/mol
Molecular Formula C15H20OS
Exact Mass 248.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98nsUvsOCNQ
Name (2S,3aS,6aR)-2-(Phenylthiomethyl)ocahydropentalen-3a-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20OS
InChI InChI=1S/C15H20OS/c16-15-8-4-5-13(15)9-12(10-15)11-17-14-6-2-1-3-7-14/h1-3,6-7,12-13,16H,4-5,8-11H2/t12-,13+,15-/m0/s1
InChIKey JDIRLUJLXCQKFA-GUTXKFCHSA-N
Literature Reference DOI 10.1021/ol901818j
Molecular Weight 248.384 g/mol
SMILES O[C@]12[C@@](CCC2)([H])C[C@](CSc2ccccc2)(C1)[H]
SPLASH splash10-004j-9640000000-17a2a267381bb8fd0186
Source of Spectrum A1-11-4576/SMS7-14
Synonyms (2S,3aS,6aR)-2-((phenylthio)methyl)octahydropentalen-3a-ol
Wiley ID 1757480