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

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 2 MS (GC)

3H-1,2-Benzodithiol-one 1,1-dioxide
SpectraBase Compound ID 7a7a1id2xOV
InChI InChI=1S/C7H4O3S2/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H
InChIKey JUDOLRSMWHVKGX-UHFFFAOYSA-N
Mol Weight 200.23 g/mol
Molecular Formula C7H4O3S2
Exact Mass 199.960186 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JNCZQKimLxW
Name 3H-1,2-Benzodithiol-3-one 1,1-dioxide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 375470
CAS Registry Number 66304-01-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4O3S2
InChI InChI=1S/C7H4O3S2/c8-7-5-3-1-2-4-6(5)12(9,10)11-7/h1-4H
InChIKey JUDOLRSMWHVKGX-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Beaucage reagent
Wiley ID SIAL_13CNMR_008088