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4-Methyl-1-phenyl-1,2,4-triazol-4-ium-3-olate
SpectraBase Compound ID 3t2vDhgIYHd
InChI InChI=1S/C9H9N3O/c1-11-7-12(10-9(11)13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey MLCXURVGEOWCSH-UHFFFAOYSA-N
Mol Weight 175.19 g/mol
Molecular Formula C9H9N3O
Exact Mass 175.074562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1u419Z5wAtF
Name 4-Methyl-1-phenyl-1,2,4-triazol-4-ium-3-olate
CAS Registry Number 28718-27-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O
InChI InChI=1S/C9H9N3O/c1-11-7-12(10-9(11)13)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey MLCXURVGEOWCSH-UHFFFAOYSA-N
Molecular Weight 175.191 g/mol
SMILES c1(n[n+](c[n]1C)-c1ccccc1)[O-]
SPLASH splash10-005c-6900000000-8c68334a75dc6dee5f91
Source of Spectrum O7-0-203-0
Wiley ID 1171365