SpectraBase Spectrum ID |
5Xi0yyh7BOC |
Name |
Ketoprofen ME |
CAS Registry Number |
47087-07-0 |
Classification |
Pharmaceutical drug derivative |
Comments |
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 |
952 |
Retention Index |
1989 |
SMILES |
C=1(C(C=2C=CC=CC2)=O)C=C(C(C(OC)=O)C)C=CC1 |
SPLASH |
splash10-0a4i-5890000000-9a79a61118cc37bd6739 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2-(3-Benzoylphenyl)propionic acid methyl ester |
Technique |
GC/MS |
Wiley ID |
DD2024_021650 |