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(Z)-N-Benzoyl-N'-(1H-1,2,4-triazol-3-yl)carbamimidothioic acid
SpectraBase Compound ID AombqWw0n7y
InChI InChI=1S/C10H9N5OS/c16-8(7-4-2-1-3-5-7)13-10(17)14-9-11-6-12-15-9/h1-6H,(H3,11,12,13,14,15,16,17)
InChIKey ISJKWWWRJNONKI-UHFFFAOYSA-N
Mol Weight 247.28 g/mol
Molecular Formula C10H9N5OS
Exact Mass 247.052781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KCwvtMu7a6C
Name (Z)-N-Benzoyl-N'-(1H-1,2,4-triazol-3-yl)carbamimidothioic acid
Appearance Yellow
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Formula C10H9N5OS
InChI InChI=1S/C10H9N5OS/c16-8(7-4-2-1-3-5-7)13-10(17)14-9-11-6-12-15-9/h1-6H,(H3,11,12,13,14,15,16,17)
InChIKey ISJKWWWRJNONKI-UHFFFAOYSA-N
Instrument Name Varian Mat-311
Ionization Type EI
Literature Reference DOI 10.1002/aoc.6037
Molecular Weight 247.276 g/mol
SMILES N(C(c1ccccc1)=O)\C(=N\c1nc[nH]n1)S
SPLASH splash10-056r-9600000000-8077dfa267d538bb377c
Source of Spectrum AOC-35-7-H2L
Wiley ID 1855780