| SpectraBase Spectrum ID |
JJWWJTYOZvc |
| Name |
(2-Phenethyl)propanoate |
| CAS Registry Number |
122-70-3 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-2-11(12)13-9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3 |
| InChIKey |
HVGZQCSMLUDISR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
989 |
| Retention Index |
1291 |
| SMILES |
C1(CCOC(CC)=O)=CC=CC=C1 |
| SPLASH |
splash10-0udi-6900000000-20632df698f428e1b56c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-phenylethyl propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004686 |
