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Ibuprofen-M (OH) ME/AC
SpectraBase Compound ID 1siyrvpq04K
InChI InChI=1S/C16H22O4/c1-11(15(18)19-5)14-8-6-13(7-9-14)10-16(3,4)20-12(2)17/h6-9,11H,10H2,1-5H3
InChIKey BAAWUKNKUSIUQL-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JElKYpt8ney
Name Ibuprofen-M (OH) ME/AC
Classification Pharmaceutical drug metabolite
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 278.151809184 u
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-11(15(18)19-5)14-8-6-13(7-9-14)10-16(3,4)20-12(2)17/h6-9,11H,10H2,1-5H3
InChIKey BAAWUKNKUSIUQL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 278.348 g/mol
Nominal Mass 278 u
Quality 994
Retention Index 1997
SMILES C=1(C(C(OC)=O)C)C=CC(CC(OC(=O)C)(C)C)=CC1
SPLASH splash10-066r-3910000000-caded942bd20a6841ff5
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl 2-(4-(2-(acetyloxy)-2-methylpropyl)phenyl)propanoate
Technique GC/MS
Wiley ID DD2024_033322