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4-Chloro-1,3-benzenedithiol

View entire compound with spectra: 5 NMR, 4 FTIR, and 1 Raman

4-Chloro-1,3-benzenedithiol
SpectraBase Compound ID 8HADc1L9H65
InChI InChI=1S/C6H5ClS2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
InChIKey HCDLDZCJYMCKQH-UHFFFAOYSA-N
Mol Weight 176.68 g/mol
Molecular Formula C6H5ClS2
Exact Mass 175.95212 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2lgGRoPBg6V
Name 4-Chloro-1,3-benzenedithiol
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 144282
CAS Registry Number 58593-78-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5ClS2
InChI InChI=1S/C6H5ClS2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
InChIKey HCDLDZCJYMCKQH-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_001289