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Ibuprofen-M (3-HO- ME
SpectraBase Compound ID BNberg8Vtan
InChI InChI=1S/C14H20O3/c1-10(13(15)17-4)12-7-5-11(6-8-12)9-14(2,3)16/h5-8,10,16H,9H2,1-4H3
InChIKey GVQBZZMJMBIALH-UHFFFAOYSA-N
Mol Weight 236.31 g/mol
Molecular Formula C14H20O3
Exact Mass 236.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47iQ2MIyOU
Name Ibuprofen-M (3-HO- ME
Classification Pharmaceutical drug metabolite derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 236.141244501 u
Formula C14H20O3
InChI InChI=1S/C14H20O3/c1-10(13(15)17-4)12-7-5-11(6-8-12)9-14(2,3)16/h5-8,10,16H,9H2,1-4H3
InChIKey GVQBZZMJMBIALH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 236.311 g/mol
Nominal Mass 236 u
Quality 992
Retention Index 1795
SMILES OC(CC1=CC=C(C(C(OC)=O)C)C=C1)(C)C
SPLASH splash10-014i-5900000000-ffea5bfa96f757f78bcc
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl 2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoate
Technique GC/MS
Wiley ID DD2024_033082