For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
METHYL-(4-BENZYL-3-METHYLTHIO-4-H-1,2,4-TRIAZOL-5-YL)-N-BENZYL-IMINODITHIOCARBONATE
SpectraBase Compound ID 9HH3GLMNC8U
InChI InChI=1S/C19H20N4S3/c1-25-18-21-20-17(22(18)13-15-9-5-3-6-10-15)23(19(24)26-2)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKey NQZNJSTYFLHDKS-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8jMwzJui9M9
Name METHYL-(4-BENZYL-3-METHYLTHIO-4-H-1,2,4-TRIAZOL-5-YL)-N-BENZYL-IMINODITHIOCARBONATE
Compound Number 11C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20N4S3
InChI InChI=1S/C19H20N4S3/c1-25-18-21-20-17(22(18)13-15-9-5-3-6-10-15)23(19(24)26-2)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKey NQZNJSTYFLHDKS-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 UWMZ1089