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

View entire compound with spectra: 1 MS (GC)

1-Benzyl-3-phenyl-1H-1,2,4-triazole 4-oxide
SpectraBase Compound ID JrEpQi99Gi6
InChI InChI=1S/C15H13N3O/c19-18-12-17(11-13-7-3-1-4-8-13)16-15(18)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKey PIPJWMZQNPNVSD-UHFFFAOYSA-N
Mol Weight 251.29 g/mol
Molecular Formula C15H13N3O
Exact Mass 251.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ftGDnjZa6p
Name 1-Benzyl-3-phenyl-1H-1,2,4-triazole 4-oxide
Alternate Name(s) 1-Benzyl-3-phenyl-1H-1,2,4-triazol-4-oxide 1-Benzyl-4-oxido-3-phenyl-1,2,4-triazol-4-ium 4-Oxidanidyl-3-phenyl-1-(phenylmethyl)-1,2,4-triazol-4-ium 4-Oxido-3-phenyl-1-(phenylmethyl)-1,2,4-triazol-4-ium
CAS Registry Number 19081-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13N3O
InChI InChI=1S/C15H13N3O/c19-18-12-17(11-13-7-3-1-4-8-13)16-15(18)14-9-5-2-6-10-14/h1-10,12H,11H2
InChIKey PIPJWMZQNPNVSD-UHFFFAOYSA-N
Molecular Weight 251.289 g/mol
SMILES c1ccc(cc1)C[n]1c[n+](c(-c2ccccc2)n1)[O-]
SPLASH splash10-0006-9100000000-b14190b06f99be07b4bd
Source of Spectrum W5-1989-36484-29052
Wiley ID 1254628