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2-(methylthio)cyclohexan-1-one

View entire compound with spectra: 3 NMR, 2 FTIR, and 1 MS (GC)

2-(methylthio)cyclohexan-1-one
SpectraBase Compound ID IafcRkUS11v
InChI InChI=1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChIKey QFABNUVNDKOIEH-UHFFFAOYSA-N
Mol Weight 144.23 g/mol
Molecular Formula C7H12OS
Exact Mass 144.060886 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IiFO2UhOTzV
Name 2-(Methylthio)cyclohexanone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 425206
CAS Registry Number 52190-35-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12OS
InChI InChI=1S/C7H12OS/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChIKey QFABNUVNDKOIEH-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009449