Ibuprofen metabolite A
7300
Reference
Ibuprofen metabolite A Structure
Systematic / IUPAC Name: 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propanoic acid
ID: Reference7300
Other Names:
1-Hydroxyibuprofen;
2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid ;
Ibuprofen-1-hydroxy;
Ibuprofen impurity L
Formula: C13H18O3
Class: Therapeutics/Prescription Drugs
Spectral Data
Ibuprofen metabolite A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 82 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 1/31/2018 9:12:05 AM |
Identificators
| InChI | InChI=1S/C13H18O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9,12,14H,1-3H3,(H,15,16) |
| InChI Key | RMOQYHYFRKTDRI-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)C(C1=CC=C(C=C1)C(C)C(=O)O)O |
| CAS | 53949534 |
| Splash | |
| Other Names |
1-Hydroxyibuprofen; 2-[4-(1-Hydroxy-2-methylpropyl)phenyl]propionic acid ; Ibuprofen-1-hydroxy; Ibuprofen impurity L |