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METHYL-(2-BENZYL-3-METHYLTHIO-2-H-1,2,4-TRIAZOL-5-YL)-N-BENZYL-IMINODITHIOCARBONATE
SpectraBase Compound ID FDXjipgzj6N
InChI InChI=1S/C19H20N4S3/c1-25-18-20-17(21-23(18)14-16-11-7-4-8-12-16)22(19(24)26-2)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKey GOHFLHAAWWCRNZ-UHFFFAOYSA-N
Mol Weight 400.58 g/mol
Molecular Formula C19H20N4S3
Exact Mass 400.08501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HaqHjSEOSHz
Name METHYL-(2-BENZYL-3-METHYLTHIO-2-H-1,2,4-TRIAZOL-5-YL)-N-BENZYL-IMINODITHIOCARBONATE
Compound Number 11B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20N4S3
InChI InChI=1S/C19H20N4S3/c1-25-18-20-17(21-23(18)14-16-11-7-4-8-12-16)22(19(24)26-2)13-15-9-5-3-6-10-15/h3-12H,13-14H2,1-2H3
InChIKey GOHFLHAAWWCRNZ-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 400.575 g/mol
Solvent CDCl3
Source File Reference UWMZ1088