| SpectraBase Spectrum ID |
JIZRgQGnymu |
| Name |
Ethyl 3-oxo-2-phenylbutanoate |
| CAS Registry Number |
5413-05-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.094294308 u |
| Formula |
C12H14O3 |
| InChI |
InChI=1S/C12H14O3/c1-3-15-12(14)11(9(2)13)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3 |
| InChIKey |
PWRUKIPYVGHRFL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.241 g/mol |
| Nominal Mass |
206 u |
| Quality |
975 |
| Retention Index |
1488 |
| SMILES |
C=1(C(C(OCC)=O)C(=O)C)C=CC=CC1 |
| SPLASH |
splash10-029f-8900000000-bb8de35f024a42fd59d0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Phenylacetoacetic acid ethyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025911 |
