| SpectraBase Spectrum ID |
JIEA5wf33pY |
| Name |
4-Methoxy-benzeneaceticacid methyl ester |
| CAS Registry Number |
23786-14-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
180.078644243 u |
| Formula |
C10H12O3 |
| InChI |
InChI=1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3 |
| InChIKey |
ZQYLDVNTWDEAJI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.203 g/mol |
| Nominal Mass |
180 u |
| Quality |
853 |
| Retention Index |
1300 |
| SMILES |
C=1(CC(OC)=O)C=CC(=CC1)OC |
| SPLASH |
splash10-00di-4900000000-b2eb1813d7398b4847b2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(4-Methoxyphenyl)propionicacid
methyl (4-methoxyphenyl)acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001991 |
