| SpectraBase Spectrum ID |
8GAXjmtBfto |
| Name |
3-(4-Hydroxyphenyl)propionic acid methyl ester |
| CAS Registry Number |
5597-50-2 |
| 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 |
180.078644243 u |
| Formula |
C10H12O3 |
| InChI |
InChI=1S/C10H12O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-3,5-6,11H,4,7H2,1H3 |
| InChIKey |
XRAMJHXWXCMGJM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.203 g/mol |
| Nominal Mass |
180 u |
| Quality |
844 |
| Retention Index |
1300 |
| SMILES |
OC=1C=CC(=CC1)CCC(OC)=O |
| SPLASH |
splash10-0a4i-3900000000-d4fba77ef24388fc5540 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Hydroxy-benzenepropanoic acid methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001693 |
