| SpectraBase Spectrum ID |
6tzhwUAiQN0 |
| Name |
Ibuprofen |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| 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 |
| SMILES |
OC(C(c1ccc(cc1)CC(C)C)C)=O |
| SPLASH |
splash10-03di-2910000000-2f99b23c4683e2bbd9a1 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
