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Ibuprofen-M (OH,-H2O)
SpectraBase Compound ID 84NdmEYs1Wy
InChI InChI=1S/C13H16O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-8,10H,1-3H3,(H,14,15)
InChIKey WYUJTWQSJJRVIG-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHYPo79TBKq
Name p-(2-Methylpropenyl)hydratropic acid
CAS Registry Number 75625-99-9
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-8,10H,1-3H3,(H,14,15)
InChIKey WYUJTWQSJJRVIG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 204.269 g/mol
Nominal Mass 204 u
Quality 940
Retention Index 1472
SMILES OC(C(C1=CC=C(C=C1)C=C(C)C)C)=O
SPLASH splash10-0a4i-3910000000-ccd92d89ed1663cf4ca1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-(4-(2-methylprop-1-en-1-yl)phenyl)propanoic acid
Technique GC/MS
Wiley ID DD2024_033487