SpectraBase Spectrum ID |
3w819WLSXQ |
Name |
2-Hydroxyibuprofen-isopropyl ester |
Classification |
Pharmaceutical drug metabolite derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
264.172544630 u |
Formula |
C16H24O3 |
InChI |
InChI=1S/C16H24O3/c1-11(2)19-15(17)12(3)14-8-6-13(7-9-14)10-16(4,5)18/h6-9,11-12,18H,10H2,1-5H3 |
InChIKey |
PPMVWXCZIYLGJP-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
264.365 g/mol |
Nominal Mass |
264 u |
Quality |
995 |
Retention Index |
1893 |
SMILES |
OC(CC1=CC=C(C(C(OC(C)C)=O)C)C=C1)(C)C |
SPLASH |
splash10-02tc-5910000000-cc858b59a367c8109ef9 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
propan-2-yl 2-(4-(2-hydroxy-2-methylpropyl)phenyl)propanoate |
Technique |
GC/MS |
Wiley ID |
DD2024_033614 |