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5-(3-METHYLSULFANYL-1,2,4-TRIAZINYL)-[3-(5-NITRO-2H-1,2,4-TRIAZOLYL)]-AMINE
SpectraBase Compound ID BrxaZZP8tR0
InChI InChI=1S/C6H6N8O2S/c1-17-6-9-3(2-7-13-6)8-4-10-5(12-11-4)14(15)16/h2H,1H3,(H2,8,9,10,11,12,13)
InChIKey UWIUBGCJGHDKSP-UHFFFAOYSA-N
Mol Weight 254.23 g/mol
Molecular Formula C6H6N8O2S
Exact Mass 254.033443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJph48x1Ryn
Name 5-(3-METHYLSULFANYL-1,2,4-TRIAZINYL)-[3-(5-NITRO-2H-1,2,4-TRIAZOLYL)]-AMINE
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H6N8O2S
InChI InChI=1S/C6H6N8O2S/c1-17-6-9-3(2-7-13-6)8-4-10-5(12-11-4)14(15)16/h2H,1H3,(H2,8,9,10,11,12,13)
InChIKey UWIUBGCJGHDKSP-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 254.226 g/mol
Solvent DMSO-D6
Source File Reference UWVN22716