SpectraBase Spectrum ID |
LAsLnYHPVva |
Name |
Salicyluric acid |
CAS Registry Number |
487-54-7 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
195.053157770 u |
Formula |
C9H9NO4 |
InChI |
InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13) |
InChIKey |
ONJSZLXSECQROL-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
195.174 g/mol |
Nominal Mass |
195 u |
Quality |
985 |
Retention Index |
1506 |
SMILES |
OC(CNC(C1=C(C=CC=C1)O)=O)=O |
SPLASH |
splash10-00di-8900000000-28b4e2c23c5b03925912 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Glycine,N-(2-hydroxybenzoyl)-
N-(2-Hydroxybenzoyl)glycine |
Technique |
GC/MS |
Wiley ID |
DD2024_014398 |