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Ibuprofen ethyl ester
SpectraBase Compound ID DeTTfauN52Z
InChI InChI=1S/C15H22O2/c1-5-17-15(16)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKey HXTFUVWJFLDLJP-UHFFFAOYSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GpmnrmXeuu
Name Ibuprofen ethyl ester
Classification Pharmaceutical drug metabolite
Comments Spectrum verified by crosschecking against external libraries (one 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 234.161979946 u
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-5-17-15(16)12(4)14-8-6-13(7-9-14)10-11(2)3/h6-9,11-12H,5,10H2,1-4H3
InChIKey HXTFUVWJFLDLJP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 234.339 g/mol
Nominal Mass 234 u
Quality 994
Retention Index 1688
SMILES C=1(C(C(OCC)=O)C)C=CC(=CC1)CC(C)C
SPLASH splash10-03di-1900000000-03823bc26d6e56f23807
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Ibuprofen,ethyl ester ethyl 2-(4-(2-methylpropyl)phenyl)propanoate
Technique GC/MS
Wiley ID DD2024_032462