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2-Benzyl-2-(methylthio)cyclohexanone

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2-Benzyl-2-(methylthio)cyclohexanone
SpectraBase Compound ID JvNRBMRjUen
InChI InChI=1S/C14H18OS/c1-16-14(10-6-5-9-13(14)15)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey WTHPTGACVXQHQV-UHFFFAOYSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4tXuLtsah5Q
Name 2-Benzyl-2-(methylthio)cyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.107836373 u
Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-16-14(10-6-5-9-13(14)15)11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3
InChIKey WTHPTGACVXQHQV-UHFFFAOYSA-N
Molecular Weight 234.357 g/mol
SMILES C1(C(=O)CCCC1)(CC=1C=CC=CC1)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904171