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cis-2,3,3a,4,7,7a-Hexahydro-7a-(phenylthio)-1H-inden-1-one
SpectraBase Compound ID 34PTK3ptsG7
InChI InChI=1S/C15H16OS/c16-14-10-9-12-6-4-5-11-15(12,14)17-13-7-2-1-3-8-13/h1-5,7-8,12H,6,9-11H2/t12-,15+/m1/s1
InChIKey QWAINHOARBSKEN-DOMZBBRYSA-N
Mol Weight 244.35 g/mol
Molecular Formula C15H16OS
Exact Mass 244.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZNVbA3Dq4b
Name cis-2,3,3a,4,7,7a-Hexahydro-7a-(phenylthio)-1H-inden-1-one
CAS Registry Number 75781-75-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16OS
InChI InChI=1S/C15H16OS/c16-14-10-9-12-6-4-5-11-15(12,14)17-13-7-2-1-3-8-13/h1-5,7-8,12H,6,9-11H2/t12-,15+/m1/s1
InChIKey QWAINHOARBSKEN-DOMZBBRYSA-N
Molecular Weight 244.352 g/mol
SMILES [C@]12(C(CC[C@]2(CC=CC1)[H])=O)Sc1ccccc1
SPLASH splash10-01p6-3930000000-a494d6edf7ceb613e9cc
Source of Spectrum J-46-625-0
Synonyms (3aS,7aS)-7a-(phenylsulfanyl)-2,3,3a,4,7,7a-hexahydro-1H-inden-1-one
Wiley ID 1247244