For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(acetylamino)-4-benzyl-1H-1,2,4-triazol-4-ium

View entire compound with spectra: 2 MS (GC)

1-(acetylamino)-4-benzyl-1H-1,2,4-triazol-4-ium
SpectraBase Compound ID C3oKIWcK5JC
InChI InChI=1S/C11H12N4O/c1-10(16)13-15-9-14(8-12-15)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3/p+1
InChIKey FQMGSICMMHXTFB-UHFFFAOYSA-O
Mol Weight 217.25 g/mol
Molecular Formula C11H13N4O
Exact Mass 217.108936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID CbF5nPnOjHR
Name 1-(acetylamino)-4-benzyl-1H-1,2,4-triazol-4-ium
Alternate Name(s) N-(4-benzyl-1,2,4-triazol-4-ium-1-yl)acetamide N-[4-(phenylmethyl)-1,2,4-triazol-4-ium-1-yl]acetamide N-[4-(phenylmethyl)-1,2,4-triazol-4-ium-1-yl]ethanamide
CAS Registry Number 25857-78-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N4O
InChI InChI=1S/C11H12N4O/c1-10(16)13-15-9-14(8-12-15)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3/p+1
InChIKey FQMGSICMMHXTFB-UHFFFAOYSA-O
Molecular Weight 217.252 g/mol
SMILES N([n]1c[n+](cn1)Cc1ccccc1)C(=O)C
SPLASH splash10-0006-9620000000-92fcb5d24434b6b918ab
Source of Spectrum W5-1989-36437-29099
Wiley ID 1215265