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4,4-Dimethyl-2-(phenylthio)cyclohexanone
SpectraBase Compound ID 4ZzndJwCImE
InChI InChI=1S/C14H18OS/c1-14(2)9-8-12(15)13(10-14)16-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKey YZHIIYLLAWGAAN-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 ASzp3mkm1ZZ
Name 4,4-Dimethyl-2-(phenylthio)cyclohexanone
Alternate Name(s) 4,4-Dimethyl-2-(phenylsulfanyl)cyclohexanone
CAS Registry Number 124992-53-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-14(2)9-8-12(15)13(10-14)16-11-6-4-3-5-7-11/h3-7,13H,8-10H2,1-2H3
InChIKey YZHIIYLLAWGAAN-UHFFFAOYSA-N
Molecular Weight 234.357 g/mol
SMILES C1(C(=O)CCC(C1)(C)C)Sc1ccccc1
SPLASH splash10-06si-5970000000-8eb4b052480599baf8d3
Source of Spectrum J-55-2126-12
Wiley ID 1236056