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Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl)-, methyl ester
SpectraBase Compound ID 5mVrEEOYtTk
InChI InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3
InChIKey YNZYUHPFNYBBFF-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6sw7nbmArqz
Name Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl)-, methyl ester
Alternate Name(s) 2-(4-Isobutylphenyl)propionic acid methyl ester 2-[4-(2-methylpropyl)phenyl]propanoic acid methyl ester Methyl 2-(4-isobutylphenyl)propanoate Ibuprofen methyl deriv Ibuprofen methyl derivative Ibuprofen methyl ester Methyl 2-(4-isobutylphenyl)propionate Methyl 2-[4-(2-methylpropyl)phenyl]propanoate Methyl ester of Ibuprofen Motrin methyl ester EINECS 262-853-7
CAS Registry Number 61566-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3
InChIKey YNZYUHPFNYBBFF-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C(C(c1ccc(cc1)CC(C)C)C)(=O)OC
SPLASH splash10-00xu-6930000000-324c0f769978902bcd63
Source of Spectrum KD-16-2587-6
Wiley ID 1637822