| SpectraBase Spectrum ID |
DoA3zVAtRS4 |
| Name |
3-Methoxy benzoic acid |
| CAS Registry Number |
586-38-9 |
| Classification |
Pharmaceutical drug intermediate |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
152.047344115 u |
| Formula |
C8H8O3 |
| InChI |
InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10) |
| InChIKey |
XHQZJYCNDZAGLW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
152.149 g/mol |
| Nominal Mass |
152 u |
| Quality |
995 |
| Retention Index |
1421 |
| SMILES |
OC(C=1C=C(C=CC1)OC)=O |
| SPLASH |
splash10-0udi-5900000000-bbcc6bb9e87d1e3cc3f4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-Anisic acid
m-Methylsalicylic acid
3-Methoxybenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022598 |
