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

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DIMETHYL-(3-METHYLTHIO-4-PHENYL-4H-1,2,4-TRIAZOL-5-YL)-IMINODITHIOCARBONATE
SpectraBase Compound ID 8wMaVgMGGvI
InChI InChI=1S/C12H14N4S3/c1-17-11-15-14-10(13-12(18-2)19-3)16(11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey UPENJFZFYRJMBB-UHFFFAOYSA-N
Mol Weight 310.45 g/mol
Molecular Formula C12H14N4S3
Exact Mass 310.03806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91GriatauAu
Name DIMETHYL-(3-METHYLTHIO-4-PHENYL-4H-1,2,4-TRIAZOL-5-YL)-IMINODITHIOCARBONATE
Compound Number 4C/15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14N4S3
InChI InChI=1S/C12H14N4S3/c1-17-11-15-14-10(13-12(18-2)19-3)16(11)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey UPENJFZFYRJMBB-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 310.450 g/mol
Solvent DMSO-D6
Source File Reference UWCP3290