| SpectraBase Spectrum ID |
JHWSp04gaum |
| Name |
3-Methoxy-benzoic acid methyl ester |
| CAS Registry Number |
5368-81-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
166.062994179 u |
| Formula |
C9H10O3 |
| InChI |
InChI=1S/C9H10O3/c1-11-8-5-3-4-7(6-8)9(10)12-2/h3-6H,1-2H3 |
| InChIKey |
DUKYPQBGYRJVAN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.176 g/mol |
| Nominal Mass |
166 u |
| Quality |
1000 |
| Retention Index |
1314 |
| SMILES |
C=1(C=C(C=CC1)OC)C(OC)=O |
| SPLASH |
splash10-00kr-3900000000-0cc70ba393ee1cea8b56 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,3-methoxy-,methyl ester
Methyl m-anisate
Methyl 3-methoxybenzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022611 |
