| SpectraBase Spectrum ID |
3tir1RmgKm |
| Name |
Ibuprofen |
| CAS Registry Number |
15687-27-1 |
| Classification |
Pharmaceutical drug, antiphlogistic, antirheumatic, analgetic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.130679818 u |
| Formula |
C13H18O2 |
| InChI |
InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
| InChIKey |
HEFNNWSXXWATRW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.285 g/mol |
| Nominal Mass |
206 u |
| Quality |
996 |
| Retention Index |
1852 |
| SMILES |
OC(C(C1=CC=C(C=C1)CC(C)C)C)=O |
| SPLASH |
splash10-03xr-2910000000-d3edeb645bbb993da020 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-(But-2-yl)phenyl)propanoic acid
2-[4-(2-Methylpropyl)phenyl]propanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_013012 |
