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DIBENZYL-(1-PHENYL-3-METHYLTHIO-1H-1,2,4-TRIAZOL-5-YL)-IMINODITHIOCARBONATE
SpectraBase Compound ID 6eWThsI4bhI
InChI InChI=1S/C24H22N4S3/c1-29-23-25-22(28(27-23)21-15-9-4-10-16-21)26-24(30-17-19-11-5-2-6-12-19)31-18-20-13-7-3-8-14-20/h2-16H,17-18H2,1H3
InChIKey QXXJXHXDZXAIHA-UHFFFAOYSA-N
Mol Weight 462.65 g/mol
Molecular Formula C24H22N4S3
Exact Mass 462.10066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4UXxmv9Mwcb
Name DIBENZYL-(1-PHENYL-3-METHYLTHIO-1H-1,2,4-TRIAZOL-5-YL)-IMINODITHIOCARBONATE
Compound Number 4A/7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22N4S3
InChI InChI=1S/C24H22N4S3/c1-29-23-25-22(28(27-23)21-15-9-4-10-16-21)26-24(30-17-19-11-5-2-6-12-19)31-18-20-13-7-3-8-14-20/h2-16H,17-18H2,1H3
InChIKey QXXJXHXDZXAIHA-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 462.645 g/mol
Solvent DMSO-D6
Source File Reference UWCP3282