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

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DIBENZYL-(3-METHYLTHIO-1H-1,2,4-TRIAZOL-5-YL)-IMINODITHIOCARBONATE
SpectraBase Compound ID Lpu1ql8PRdg
InChI InChI=1S/C18H18N4S3/c1-23-17-19-16(21-22-17)20-18(24-12-14-8-4-2-5-9-14)25-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,21,22)
InChIKey MUGAFWKEOUXREH-UHFFFAOYSA-N
Mol Weight 386.55 g/mol
Molecular Formula C18H18N4S3
Exact Mass 386.06936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C9UtnCQJN6J
Name DIBENZYL-(3-METHYLTHIO-1H-1,2,4-TRIAZOL-5-YL)-IMINODITHIOCARBONATE
Compound Number 4A/19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N4S3
InChI InChI=1S/C18H18N4S3/c1-23-17-19-16(21-22-17)20-18(24-12-14-8-4-2-5-9-14)25-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,21,22)
InChIKey MUGAFWKEOUXREH-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 386.548 g/mol
Solvent DMSO-D6
Source File Reference UWCP3295