| SpectraBase Spectrum ID |
JFdqADr5IVk |
| Name |
3-Methoxybenzoic acid ethyl ester |
| CAS Registry Number |
10259-22-0 |
| Classification |
Flavor, fragrance |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
180.078644243 u |
| Formula |
C10H12O3 |
| InChI |
InChI=1S/C10H12O3/c1-3-13-10(11)8-5-4-6-9(7-8)12-2/h4-7H,3H2,1-2H3 |
| InChIKey |
GSQLMBQLTPEPHD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.203 g/mol |
| Nominal Mass |
180 u |
| Quality |
990 |
| Retention Index |
1389 |
| SMILES |
C=1(C(OCC)=O)C=C(C=CC1)OC |
| SPLASH |
splash10-000i-3900000000-8f185cae1f4513acc340 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,3-methoxy-,ethyl ester
Ethyl m-methoxybenzoate
m-Anisic acid ethyl ester
Ethyl-3-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015099 |
