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Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate

View entire compound with spectra: 2 NMR, 1 FTIR, and 5 MS (GC)

Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate
SpectraBase Compound ID KZOKIXNDrGM
InChI InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
InChIKey UZKKFHMMXWDIPD-UHFFFAOYSA-N
Mol Weight 250.3 g/mol
Molecular Formula C7H6O4S3
Exact Mass 249.942822 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1TjSml5gx7U
Name Dimethyl 2-thioxo-1,3-dithiole-4,5-dicarboxylate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 440779
CAS Registry Number 7396-41-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H6O4S3
InChI InChI=1S/C7H6O4S3/c1-10-5(8)3-4(6(9)11-2)14-7(12)13-3/h1-2H3
InChIKey UZKKFHMMXWDIPD-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_009680