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METHYL-(3-(2-METHYLETHYLTHIO)-1,2,4-TRIAZOL-5-YL)-AMINODITHIOCARBONNATE
SpectraBase Compound ID 4EtQbE82uyp
InChI InChI=1S/C7H12N4S3/c1-3-4-14-6-8-5(10-11-6)9-7(12)13-2/h3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKey CPIJFPIPRQXTAK-UHFFFAOYSA-N
Mol Weight 248.38 g/mol
Molecular Formula C7H12N4S3
Exact Mass 248.02241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9catDZRNtU9
Name METHYL-(3-(2-METHYLETHYLTHIO)-1,2,4-TRIAZOL-5-YL)-AMINODITHIOCARBONNATE
Compound Number 3B/4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12N4S3
InChI InChI=1S/C7H12N4S3/c1-3-4-14-6-8-5(10-11-6)9-7(12)13-2/h3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKey CPIJFPIPRQXTAK-UHFFFAOYSA-N
Literature Reference Author L.PONGO,J.REITER,J.BARKOCZY,P.SOHAR,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,27,1249(1990)
Literature Reference DOI 10.1002/jhet.5570270516
Molecular Weight 248.379 g/mol
Solvent DMSO-D6
Source File Reference UWMZ1078