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2-Methyl-2-(phenylsulfanyl)cyclohexanone

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

2-Methyl-2-(phenylsulfanyl)cyclohexanone
SpectraBase Compound ID 3UGYnvfZGIh
InChI InChI=1S/C13H16OS/c1-13(10-6-5-9-12(13)14)15-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey BKWNNSJZBGLZHV-UHFFFAOYSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7eJFX2PRFnG
Name 2-Methyl-2-(phenylsulfanyl)cyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.092186308 u
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-13(10-6-5-9-12(13)14)15-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9-10H2,1H3
InChIKey BKWNNSJZBGLZHV-UHFFFAOYSA-N
Molecular Weight 220.330 g/mol
SMILES C1(SC2=CC=CC=C2)(C(=O)CCCC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.801313