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5-(3-METHYLSULFANYL-1,2,4-TRIAZINYL)-[5-(1H-TETRAZOLYL)]-AMINE
SpectraBase Compound ID AFHAUZSAmH1
InChI InChI=1S/C5H6N8S/c1-14-5-8-3(2-6-11-5)7-4-9-12-13-10-4/h2H,1H3,(H2,7,8,9,10,11,12,13)
InChIKey KZTGHPCMYRCNKS-UHFFFAOYSA-N
Mol Weight 210.22 g/mol
Molecular Formula C5H6N8S
Exact Mass 210.043613 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BBVJEzclfMD
Name 5-(3-METHYLSULFANYL-1,2,4-TRIAZINYL)-[5-(1H-TETRAZOLYL)]-AMINE
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H6N8S
InChI InChI=1S/C5H6N8S/c1-14-5-8-3(2-6-11-5)7-4-9-12-13-10-4/h2H,1H3,(H2,7,8,9,10,11,12,13)
InChIKey KZTGHPCMYRCNKS-UHFFFAOYSA-N
Literature Reference Author E.GARNIER,J.AUDOUX,E.PASQUINET,F.SUZENET,D.POULLAIN,B.LEBRET ,G.GUILLAUMET
Literature Reference Citation J.ORG.CHEM.,69,7809(2004)
Literature Reference DOI 10.1021/jo0490898
Molecular Weight 210.216 g/mol
Solvent DMSO-D6
Source File Reference UWVN22717