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3H-1,2-Benzodithiol-3-one

View entire compound with spectra: 2 NMR, 1 FTIR, and 6 MS (GC)

3H-1,2-Benzodithiol-3-one
SpectraBase Compound ID 5OAInv39gpb
InChI InChI=1S/C7H4OS2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H
InChIKey GZTYTTPPCAXUHB-UHFFFAOYSA-N
Mol Weight 168.23 g/mol
Molecular Formula C7H4OS2
Exact Mass 167.970357 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2m0yyyyaeYz
Name 3H-1,2-Benzodithiol-3-one
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 375462
CAS Registry Number 1677-27-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4OS2
InChI InChI=1S/C7H4OS2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H
InChIKey GZTYTTPPCAXUHB-UHFFFAOYSA-N
Observed nucleus 13C
Purity 97%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_008087