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2-Hydroxyibuprofen-isopropyl ester
SpectraBase Compound ID IJTNYawMTE7
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
Mol Weight 264.36 g/mol
Molecular Formula C16H24O3
Exact Mass 264.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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