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Cyclohexanone, 4-ethyl-2-(phenylthio)-
SpectraBase Compound ID 5uSwL5kDDuT
InChI InChI=1S/C14H18OS/c1-2-11-8-9-13(15)14(10-11)16-12-6-4-3-5-7-12/h3-7,11,14H,2,8-10H2,1H3
InChIKey WHRFPOLNCJUCMA-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVFEdXlmnFe
Name Cyclohexanone, 4-ethyl-2-(phenylthio)-
Alternate Name(s) 4-ethyl-2-(phenylthio)-1-cyclohexanone 4-ethyl-2-(phenylthio)cyclohexanone 4-ethyl-2-phenylsulfanyl-cyclohexan-1-one 4-ethyl-2-phenylsulfanylcyclohexan-1-one
CAS Registry Number 89817-01-6
Comments Less than 3 mono-isotopic peaks
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Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-2-11-8-9-13(15)14(10-11)16-12-6-4-3-5-7-12/h3-7,11,14H,2,8-10H2,1H3
InChIKey WHRFPOLNCJUCMA-UHFFFAOYSA-N
Molecular Weight 234.357 g/mol
SMILES C1(C(=O)CCC(C1)CC)Sc1ccccc1
SPLASH splash10-03e9-0960000000-5a88f5a59e31c91f241b
Source of Spectrum Y-20-1495-0
Wiley ID 1236046