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5-Methyl-2-phenyl-1H-1,2,4-triazol-3-one

View entire compound with spectra: 1 MS (GC)

5-Methyl-2-phenyl-1H-1,2,4-triazol-3-one
SpectraBase Compound ID EvOjxkSOPko
InChI InChI=1S/C9H9N3O/c1-7-10-9(13)12(11-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,10,11,13)
InChIKey QPBMZCGEAIGPEY-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 7r08IDEjdxD
Name 5-Methyl-2-phenyl-1H-1,2,4-triazol-3-one
Alternate Name(s) 5-Methyl-2-phenyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CAS Registry Number 22863-24-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O
InChI InChI=1S/C9H9N3O/c1-7-10-9(13)12(11-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,10,11,13)
InChIKey QPBMZCGEAIGPEY-UHFFFAOYSA-N
Molecular Weight 175.191 g/mol
SMILES N1C(=NN(C1=O)c1ccccc1)C
SPLASH splash10-002f-9700000000-ff901139760a705f2341
Source of Spectrum O-5-118-2
Wiley ID 1171366