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

*Links on SpectraBase are not permalinks.

2-(4H-1,2,4-triazol-4-yl)benzoic acid

View entire compound with spectra: 1 MS (GC)

2-(4H-1,2,4-triazol-4-yl)benzoic acid
SpectraBase Compound ID 9YplEWCjohj
InChI InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-4-8(7)12-5-10-11-6-12/h1-6H,(H,13,14)
InChIKey PFRSCKSDWKIZSR-UHFFFAOYSA-N
Mol Weight 189.17 g/mol
Molecular Formula C9H7N3O2
Exact Mass 189.053826 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 2icL6fYb5v7
Name 2-(4H-1,2,4-triazol-4-yl)benzoic acid
Alternate Name(s) Benzoic acid, 2-(4H-1,2,4-triazol-4-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O2
InChI InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-4-8(7)12-5-10-11-6-12/h1-6H,(H,13,14)
InChIKey PFRSCKSDWKIZSR-UHFFFAOYSA-N
Molecular Weight 189.174 g/mol
SMILES OC(c1ccccc1-[n]1cnnc1)=O
SPLASH splash10-000i-9300000000-f45afd525e99765f9ebc
Source of Spectrum IY-2-4930-3
Wiley ID 1657286