| SpectraBase Spectrum ID |
1ovUMFkuMC |
| Name |
Ibuprofen-M (OH) ME/AC |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
278.151809184 u |
| Formula |
C16H22O4 |
| InChI |
InChI=1S/C16H22O4/c1-11(15(18)19-5)14-8-6-13(7-9-14)10-16(3,4)20-12(2)17/h6-9,11H,10H2,1-5H3 |
| InChIKey |
BAAWUKNKUSIUQL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
278.348 g/mol |
| Nominal Mass |
278 u |
| Quality |
994 |
| Retention Index |
1997 |
| SMILES |
C=1(C(C(OC)=O)C)C=CC(CC(OC(=O)C)(C)C)=CC1 |
| SPLASH |
splash10-066r-1920000000-13db0b3593bf6f8da3e9 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
methyl 2-(4-(2-(acetyloxy)-2-methylpropyl)phenyl)propanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033250 |
