| SpectraBase Spectrum ID |
JJYZXjxDwe0 |
| Name |
Ibuprofen-M (OH,-H2O) |
| 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 |
204.115029753 u |
| Formula |
C13H16O2 |
| InChI |
InChI=1S/C13H16O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-8,10H,1-3H3,(H,14,15) |
| InChIKey |
WYUJTWQSJJRVIG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.269 g/mol |
| Nominal Mass |
204 u |
| Quality |
920 |
| Retention Index |
1479 |
| SMILES |
OC(C(C=1C=CC(=CC1)C=C(C)C)C)=O |
| SPLASH |
splash10-0a4i-3910000000-d483d427959867b1c24d |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-(2-methylprop-1-en-1-yl)phenyl)propanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022733 |
