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4-(Tert-butyl)-2,2-di(methylthio)cyclohexanone

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

4-(Tert-butyl)-2,2-di(methylthio)cyclohexanone
SpectraBase Compound ID IPdEUlf2K7D
InChI InChI=1S/C12H22OS2/c1-11(2,3)9-6-7-10(13)12(8-9,14-4)15-5/h9H,6-8H2,1-5H3
InChIKey DFFABHFRNFRCGK-UHFFFAOYSA-N
Mol Weight 246.43 g/mol
Molecular Formula C12H22OS2
Exact Mass 246.111208 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KZDFRLyvwhW
Name 4-(Tert-butyl)-2,2-di(methylthio)cyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.111207675 u
Formula C12H22OS2
InChI InChI=1S/C12H22OS2/c1-11(2,3)9-6-7-10(13)12(8-9,14-4)15-5/h9H,6-8H2,1-5H3
InChIKey DFFABHFRNFRCGK-UHFFFAOYSA-N
Molecular Weight 246.427 g/mol
SMILES C1(C(CCC(C1)C(C)(C)C)=O)(SC)SC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901499