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5-Phenyl-2-(phenylthio)-1-cyclohexanone
SpectraBase Compound ID 9CjI6aXAc4L
InChI InChI=1S/C18H18OS/c19-17-13-15(14-7-3-1-4-8-14)11-12-18(17)20-16-9-5-2-6-10-16/h1-10,15,18H,11-13H2
InChIKey KWJLIEVAQPLKGV-UHFFFAOYSA-N
Mol Weight 282.4 g/mol
Molecular Formula C18H18OS
Exact Mass 282.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKVHklltyab
Name 5-Phenyl-2-(phenylthio)-1-cyclohexanone
CAS Registry Number 63608-46-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18OS
InChI InChI=1S/C18H18OS/c19-17-13-15(14-7-3-1-4-8-14)11-12-18(17)20-16-9-5-2-6-10-16/h1-10,15,18H,11-13H2
InChIKey KWJLIEVAQPLKGV-UHFFFAOYSA-N
Molecular Weight 282.401 g/mol
SMILES C1(C(Sc2ccccc2)CCC(C1)c1ccccc1)=O
SPLASH splash10-0ac0-6920000000-3eb9bc065364c002f751
Source of Spectrum C-99-4409-0
Synonyms 5-Phenyl-2-(phenylthio)cyclohexanone 5-Phenyl-2-phenylsulfanyl-cyclohexan-1-one 5-Phenyl-2-phenylsulfanyl-cyclohexanone
Wiley ID 1286213