SpectraBase Spectrum ID |
JEXDj4IGGem |
Name |
4-Aminosalicylic acid |
CAS Registry Number |
65-49-6 |
Classification |
Pharmaceutical drug, antituberculosis |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
153.042593086 u |
Formula |
C7H7NO3 |
InChI |
InChI=1S/C7H7NO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,8H2,(H,10,11) |
InChIKey |
WUBBRNOQWQTFEX-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
153.137 g/mol |
Nominal Mass |
153 u |
Quality |
989 |
Retention Index |
1171 |
SMILES |
OC(C1=C(C=C(C=C1)N)O)=O |
SPLASH |
splash10-0udi-9500000000-e1e1600391abc954f694 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Technique |
GC/MS |
Wiley ID |
DD2024_000134 |