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4-((E)-[(3-Amino-1H-1,2,4-triazol-5-yl)imino]methyl)-1,3-benzenediol
SpectraBase Compound ID FTEefuoawCM
InChI InChI=1S/C9H9N5O2/c10-8-12-9(14-13-8)11-4-5-1-2-6(15)3-7(5)16/h1-4,15-16H,(H3,10,12,13,14)/b11-4+
InChIKey MPIXFYCEHRRWDS-NYYWCZLTSA-N
Mol Weight 219.2 g/mol
Molecular Formula C9H9N5O2
Exact Mass 219.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FarJuuRqqZH
Name 4-((E)-[(3-Amino-1H-1,2,4-triazol-5-yl)imino]methyl)-1,3-benzenediol
CAS Registry Number 321968-42-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N5O2
InChI InChI=1S/C9H9N5O2/c10-8-12-9(14-13-8)11-4-5-1-2-6(15)3-7(5)16/h1-4,15-16H,(H3,10,12,13,14)/b11-4+
InChIKey MPIXFYCEHRRWDS-NYYWCZLTSA-N
Molecular Weight 219.204 g/mol
SMILES Oc1c(\C=N\c2nc(n[nH]2)N)ccc(c1)O
SPLASH splash10-00kf-9110000000-e1fae04f6cd3722dca5b
Source of Spectrum AD-0-2532-0
Synonyms 4-(3-Amino-1H-1,2,4-triazol-5-yliminomethyl)resorcinol
Wiley ID 1422008