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2-Methyl-2-phenylthiocycloheptanone

View entire compound with spectra: 1 MS (GC)

2-Methyl-2-phenylthiocycloheptanone
SpectraBase Compound ID IBYiHaY1eqq
InChI InChI=1S/C14H18OS/c1-14(11-7-3-6-10-13(14)15)16-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKey VTCSDTLRGOFKQX-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 Jq6rVmd2A78
Name 2-Methyl-2-phenylthiocycloheptanone
Alternate Name(s) 2-Methyl-2-(phenylsulfanyl)cycloheptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-14(11-7-3-6-10-13(14)15)16-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3
InChIKey VTCSDTLRGOFKQX-UHFFFAOYSA-N
Molecular Weight 234.357 g/mol
SMILES C1(C(CCCCC1)(Sc1ccccc1)C)=O
SPLASH splash10-0bu1-9430000000-792f6143d3698c516f8a
Source of Spectrum KC-1992-2612-4
Wiley ID 776995