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5-METHYLTHIO-1,2,4-TRIAZOL-1-YL-(1,2,4-TRIAZOL-1-YL)-METHANE

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5-METHYLTHIO-1,2,4-TRIAZOL-1-YL-(1,2,4-TRIAZOL-1-YL)-METHANE
SpectraBase Compound ID 3IdAW6j6gkY
InChI InChI=1S/C6H8N6S/c1-13-6-8-3-10-12(6)5-11-4-7-2-9-11/h2-4H,5H2,1H3
InChIKey DUDDVTABBXMIQF-UHFFFAOYSA-N
Mol Weight 196.23 g/mol
Molecular Formula C6H8N6S
Exact Mass 196.053115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQcIzphRATB
Name 5-METHYLTHIO-1,2,4-TRIAZOL-1-YL-(1,2,4-TRIAZOL-1-YL)-METHANE
Compound Number 5B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H8N6S
InChI InChI=1S/C6H8N6S/c1-13-6-8-3-10-12(6)5-11-4-7-2-9-11/h2-4H,5H2,1H3
InChIKey DUDDVTABBXMIQF-UHFFFAOYSA-N
Literature Reference Author E.DIEZ-BARRA,A.DELAHOZ,A.SANCHEZ-MIGALLON,J.TEJEDA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1079(1993)
Literature Reference DOI 10.1039/p19930001079
Molecular Weight 196.230 g/mol
Solvent CDCl3
Source File Reference UWCS16437