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2-Chlorobenzenemethanethiol

View entire compound with spectra: 2 NMR, and 3 FTIR

2-Chlorobenzenemethanethiol
SpectraBase Compound ID CnpDZYgsmX9
InChI InChI=1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey WWFIIZLHSNBNTC-UHFFFAOYSA-N
Mol Weight 158.65 g/mol
Molecular Formula C7H7ClS
Exact Mass 157.995699 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ohHUjw7Hs
Name 2-Chlorobenzenemethanethiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 257427
CAS Registry Number 39718-00-8
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7ClS
InChI InChI=1S/C7H7ClS/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey WWFIIZLHSNBNTC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Chlorobenzyl mercaptan
Wiley ID SIAL_13CNMR_004508