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2-(3-METHYLTHIO-1-PHENYL-1H-1,2,4-TRIAZOL-5-YL)-IMINO-1,3-DITHIANE
SpectraBase Compound ID 8nJUXgaZIl3
InChI InChI=1S/C13H14N4S3/c1-18-12-14-11(15-13-19-8-5-9-20-13)17(16-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey KSSAUECFNKIFEA-UHFFFAOYSA-N
Mol Weight 322.46 g/mol
Molecular Formula C13H14N4S3
Exact Mass 322.03806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhPhswe9TE4
Name 2-(3-METHYLTHIO-1-PHENYL-1H-1,2,4-TRIAZOL-5-YL)-IMINO-1,3-DITHIANE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H14N4S3
InChI InChI=1S/C13H14N4S3/c1-18-12-14-11(15-13-19-8-5-9-20-13)17(16-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKey KSSAUECFNKIFEA-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 322.461 g/mol
Solvent DMSO-D6
Source File Reference UWCS22295