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Thiophenol

View entire compound with spectra: 29 NMR, 13 FTIR, 2 Raman, 14 MS (GC), and 2 Near IR

Thiophenol
SpectraBase Compound ID 5KihVl1Dc7f
InChI InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey RMVRSNDYEFQCLF-UHFFFAOYSA-N
Mol Weight 110.17 g/mol
Molecular Formula C6H6S
Exact Mass 110.019021 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JOpUiTvOsOR
Name Thiophenol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 240249
CAS Registry Number 108-98-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6S
InChI InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey RMVRSNDYEFQCLF-UHFFFAOYSA-N
Observed nucleus 13C
Purity >=99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzenethiol Phenyl mercaptan
Wiley ID SIAL_13CNMR_003884