| SpectraBase Spectrum ID |
2mv8y505LQe |
| Name |
Ibuprofen ethyl ester |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| InChI |
InChI=1S/C15H22O2/c1-5-17-15(16)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3 |
| InChIKey |
HXTFUVWJFLDLJP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
234.339 g/mol |
| Nominal Mass |
234 u |
| Quality |
889 |
| Retention Index |
1688 |
| SMILES |
C=1(C(C(OCC)=O)C)C=CC(=CC1)CC(C)C |
| SPLASH |
splash10-03xr-4900000000-0fe5b86cc18b911e3a21 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Ibuprofen,ethyl ester
ethyl 2-(4-(2-methylpropyl)phenyl)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008748 |
