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Trans-4-(Phenylthio)-trans-decahydro-1-naphthalenone
SpectraBase Compound ID 1cjwLg76Ys7
InChI InChI=1S/C16H20OS/c17-15-10-11-16(14-9-5-4-8-13(14)15)18-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2/t13-,14+,16-/m0/s1
InChIKey HGPFSXGZOONNPH-LZWOXQAQSA-N
Mol Weight 260.39 g/mol
Molecular Formula C16H20OS
Exact Mass 260.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7XzycVse5j
Name Trans-4-(Phenylthio)-trans-decahydro-1-naphthalenone
CAS Registry Number 98678-09-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20OS
InChI InChI=1S/C16H20OS/c17-15-10-11-16(14-9-5-4-8-13(14)15)18-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2/t13-,14+,16-/m0/s1
InChIKey HGPFSXGZOONNPH-LZWOXQAQSA-N
Molecular Weight 260.395 g/mol
SMILES [C@@]12([C@@](Sc3ccccc3)(CCC([C@]1(CCCC2)[H])=O)[H])[H]
SPLASH splash10-03di-0790000000-9e58b465f1f9965811f4
Source of Spectrum J-50-4600-8
Synonyms (4S,4aR,8aS)-4-(phenylsulfanyl)octahydro-1(2H)-naphthalenone
Wiley ID 1263960