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2-(4-BENZYL-3-METHYLTHIO-4H-1,2,4-TRIAZOL-5-YL)-IMINO-1,3-DITHIETANE
SpectraBase Compound ID LZYRNWikAai
InChI InChI=1S/C12H12N4S3/c1-17-11-15-14-10(13-12-18-8-19-12)16(11)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey NFHOBRMAASUXDI-UHFFFAOYSA-N
Mol Weight 308.44 g/mol
Molecular Formula C12H12N4S3
Exact Mass 308.02241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5SFJAmawpOV
Name 2-(4-BENZYL-3-METHYLTHIO-4H-1,2,4-TRIAZOL-5-YL)-IMINO-1,3-DITHIETANE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N4S3
InChI InChI=1S/C12H12N4S3/c1-17-11-15-14-10(13-12-18-8-19-12)16(11)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey NFHOBRMAASUXDI-UHFFFAOYSA-N
Literature Reference Author L.PONGO,P.SOHAR,J.REITER,P.DVORTSAK,G.BUJTAS
Literature Reference Citation J.HETCYCL.CHEM.,31,997(1994)
Literature Reference DOI 10.1002/jhet.5570310450
Molecular Weight 308.434 g/mol
Solvent CDCl3
Source File Reference UWCS22297