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DIMETHYL-(3-METHYLTHIO-4-BENZYL-4H-1,2,4-TRIAZOL-5-YL)-IMINODITHIOCARBONATE

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DIMETHYL-(3-METHYLTHIO-4-BENZYL-4H-1,2,4-TRIAZOL-5-YL)-IMINODITHIOCARBONATE
SpectraBase Compound ID 2xR7XYeEIaq
InChI InChI=1S/C13H16N4S3/c1-18-12-16-15-11(14-13(19-2)20-3)17(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey MUACMAAOUBCVJX-UHFFFAOYSA-N
Mol Weight 324.48 g/mol
Molecular Formula C13H16N4S3
Exact Mass 324.05371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GgDoyIpkHug
Name DIMETHYL-(3-METHYLTHIO-4-BENZYL-4H-1,2,4-TRIAZOL-5-YL)-IMINODITHIOCARBONATE
Compound Number 4C/14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N4S3
InChI InChI=1S/C13H16N4S3/c1-18-12-16-15-11(14-13(19-2)20-3)17(12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey MUACMAAOUBCVJX-UHFFFAOYSA-N
Literature Reference Author J.REITER,L.PONGO,I.PALLAGI
Literature Reference Citation J.HETCYCL.CHEM.,27,1689(1990)
Literature Reference DOI 10.1002/jhet.5570270633
Molecular Weight 324.477 g/mol
Solvent DMSO-D6
Source File Reference UWCP3289