| SpectraBase Spectrum ID |
GBbqfEPjbxj |
| Name |
3-Phenylethyl propanoate |
| CAS Registry Number |
2021-28-5 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey |
JAGZUIGGHGTFHO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
998 |
| Retention Index |
1320 |
| SMILES |
C1(CCC(OCC)=O)=CC=CC=C1 |
| SPLASH |
splash10-0zi0-7900000000-6d518d0634f94a4828d6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzenepropanoic acid,ethyl ester
Ethyl 3-phenyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_026578 |
