| SpectraBase Spectrum ID |
JJXPoH5cQVM |
| Name |
Ketoprofen |
| CAS Registry Number |
22071-15-4 |
| Classification |
Pharmaceutical drug, antiphlogistic, NSAID |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
254.094294308 u |
| Formula |
C16H14O3 |
| InChI |
InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19) |
| InChIKey |
DKYWVDODHFEZIM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
254.285 g/mol |
| Nominal Mass |
254 u |
| Quality |
993 |
| Retention Index |
1889 |
| SMILES |
OC(C(C=1C=C(C(C2=CC=CC=C2)=O)C=CC1)C)=O |
| SPLASH |
splash10-0a6r-4930000000-45b1242d1731a8c07ed1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(3-Benzoylphenyl)propanoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012548 |
