| SpectraBase Spectrum ID |
DnEQZw3pk4u |
| Name |
4-Methoxy-benzoic acid ethyl ester |
| CAS Registry Number |
94-30-4 |
| 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 |
180.078644243 u |
| Formula |
C10H12O3 |
| InChI |
InChI=1S/C10H12O3/c1-3-13-10(11)8-4-6-9(12-2)7-5-8/h4-7H,3H2,1-2H3 |
| InChIKey |
FHUODBDRWMIBQP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.203 g/mol |
| Nominal Mass |
180 u |
| Quality |
795 |
| Retention Index |
1558 |
| SMILES |
C=1(C(OCC)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-000i-3900000000-385dcaa9ed1ba5e43833 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,4-methoxy-,ethyl ester
Ethyl-4-methoxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022283 |
