| SpectraBase Spectrum ID |
3GqlZSsIoi |
| Name |
2-Hydroxyibuprofen |
| CAS Registry Number |
51146-55-5 |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15) |
| InChIKey |
UJHKVYPPCJBOSG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
222.284 g/mol |
| Nominal Mass |
222 u |
| Quality |
994 |
| Retention Index |
1592 |
| SMILES |
OC(C(C1=CC=C(CC(O)(C)C)C=C1)C)=O |
| SPLASH |
splash10-014l-6900000000-a724896a534e83e656e8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-(2-hydroxy-2-methylpropyl)phenyl)propanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033410 |
