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Ibuprofen propyl ester
SpectraBase Compound ID 5gEKPOGwxJd
InChI InChI=1S/C16H24O2/c1-5-10-18-16(17)13(4)15-8-6-14(7-9-15)11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey QXWDAKBZLIENSO-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JOpH1bv7BI
Name Ibuprofen,propyl ester
Classification Chemical
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-5-10-18-16(17)13(4)15-8-6-14(7-9-15)11-12(2)3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey QXWDAKBZLIENSO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 248.366 g/mol
Nominal Mass 248 u
Quality 993
Retention Index 1657
SMILES C=1(C(C(OCCC)=O)C)C=CC(=CC1)CC(C)C
SPLASH splash10-03di-2900000000-b066928f401f735c49e0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms propyl 2-(4-(2-methylpropyl)phenyl)propanoate
Technique GC/MS
Wiley ID DD2024_033220