| SpectraBase Spectrum ID |
8JqBF4Dh52u |
| Name |
4-Methoxy-benzenepropanoic acid methyl ester |
| CAS Registry Number |
15823-04-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
194.094294308 u |
| Formula |
C11H14O3 |
| InChI |
InChI=1S/C11H14O3/c1-13-10-6-3-9(4-7-10)5-8-11(12)14-2/h3-4,6-7H,5,8H2,1-2H3 |
| InChIKey |
AKQLYAFBUYHFCK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
194.230 g/mol |
| Nominal Mass |
194 u |
| Quality |
862 |
| Retention Index |
1400 |
| SMILES |
C1(=CC=C(C=C1)OC)CCC(OC)=O |
| SPLASH |
splash10-00di-2900000000-1aa25e22d6446b52a6e7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 3-(4-methoxyphenyl)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001992 |
