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N-(1-benzyl-1,2,4-triazol-4-ium-4-yl)benzamide

View entire compound with spectra: 2 MS (GC)

N-(1-benzyl-1,2,4-triazol-4-ium-4-yl)benzamide
SpectraBase Compound ID 8SMGORt9I94
InChI InChI=1S/C16H14N4O/c21-16(15-9-5-2-6-10-15)18-20-12-17-19(13-20)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2/p+1
InChIKey QYQAUQSRCAIPPU-UHFFFAOYSA-O
Mol Weight 279.32 g/mol
Molecular Formula C16H15N4O
Exact Mass 279.124586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvyaWo4XUzC
Name N-(1-benzyl-1,2,4-triazol-4-ium-4-yl)benzamide
CAS Registry Number 25857-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15N4O
InChI InChI=1S/C16H14N4O/c21-16(15-9-5-2-6-10-15)18-20-12-17-19(13-20)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2/p+1
InChIKey QYQAUQSRCAIPPU-UHFFFAOYSA-O
Molecular Weight 279.323 g/mol
SMILES N([n+]1c[n](Cc2ccccc2)nc1)C(=O)c1ccccc1
SPLASH splash10-0006-9510000000-75ec6b578523df66c668
Source of Spectrum W5-1989-36510-29026
Synonyms N-[1-(phenylmethyl)-1,2,4-triazol-4-ium-4-yl]benzamide
Wiley ID 1281960