| SpectraBase Spectrum ID |
GHnXW2aWsZH |
| Name |
Ketoprofen ME |
| CAS Registry Number |
47087-07-0 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
268.109944372 u |
| Formula |
C17H16O3 |
| InChI |
InChI=1S/C17H16O3/c1-12(17(19)20-2)14-9-6-10-15(11-14)16(18)13-7-4-3-5-8-13/h3-12H,1-2H3 |
| InChIKey |
BIOCOYIPJQMGTN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
268.312 g/mol |
| Nominal Mass |
268 u |
| Quality |
892 |
| Retention Index |
1989 |
| SMILES |
C=1(C(C=2C=CC=CC2)=O)C=C(C(C(OC)=O)C)C=CC1 |
| SPLASH |
splash10-0a4i-4970000000-1c7414f8af676b46e977 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(3-Benzoylphenyl)propionic acid methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001798 |
