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4-Methyl-1-phenyl-1H-1,2,3-triazole 3-oxide

View entire compound with spectra: 1 MS (GC)

4-Methyl-1-phenyl-1H-1,2,3-triazole 3-oxide
SpectraBase Compound ID 2xUaIH73QN1
InChI InChI=1S/C9H9N3O/c1-8-7-11(10-12(8)13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey YBIAPGHDSFCOLE-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 6Y6fogeby1x
Name 4-Methyl-1-phenyl-1H-1,2,3-triazole 3-oxide
Alternate Name(s) 4-Methyl-3-oxidanidyl-1-phenyl-1,2,3-triazol-3-ium 4-Methyl-3-oxido-1-phenyl-triazol-3-ium 5-Methyl-3-phenyl-1,2,3-triazole-1-oxide
CAS Registry Number 116932-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O
InChI InChI=1S/C9H9N3O/c1-8-7-11(10-12(8)13)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey YBIAPGHDSFCOLE-UHFFFAOYSA-N
Molecular Weight 175.191 g/mol
SMILES Cc1c[n](-c2ccccc2)n[n+]1[O-]
SPLASH splash10-004i-9500000000-1e1e0eda885aae36fb54
Source of Spectrum KC-1982-2752-0
Wiley ID 1171362