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5-PHENYLMETHANESULFONYLMETHYL-[1,3,4]-THIADIAZOLE-2-THIOL
SpectraBase Compound ID 2ETzfLcVVPL
InChI InChI=1S/C10H10N2O2S3/c13-17(14,6-8-4-2-1-3-5-8)7-9-11-12-10(15)16-9/h1-5H,6-7H2,(H,12,15)
InChIKey BUBNLWMMQIJDOV-UHFFFAOYSA-N
Mol Weight 286.38 g/mol
Molecular Formula C10H10N2O2S3
Exact Mass 285.990441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLxNcwfiLtS
Name 5-PHENYLMETHANESULFONYLMETHYL-[1,3,4]-THIADIAZOLE-2-THIOL
Compound Number 10A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10N2O2S3
InChI InChI=1S/C10H10N2O2S3/c13-17(14,6-8-4-2-1-3-5-8)7-9-11-12-10(15)16-9/h1-5H,6-7H2,(H,12,15)
InChIKey BUBNLWMMQIJDOV-UHFFFAOYSA-N
Literature Reference Author V.PADMAVATHI,P.THRIVENI,B.J.M.REDDY,A.PADMAJA
Literature Reference Citation J.HETCYCL.CHEM.,42,113(2005)
Literature Reference DOI 10.1002/jhet.5570420116
Molecular Weight 286.382 g/mol
Sample ID 42328
Solvent CDCl3