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2-Methyl-4-phenyl-butyric acid, methyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

2-Methyl-4-phenyl-butyric acid, methyl ester
SpectraBase Compound ID 7wlBAhSGt7N
InChI InChI=1S/C12H16O2/c1-10(12(13)14-2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey KEIGTQPTFNQBMC-UHFFFAOYSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3oUVB3tKmI
Name 2-Methyl-4-phenyl-butyric acid, methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-10(12(13)14-2)8-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey KEIGTQPTFNQBMC-UHFFFAOYSA-N
Molecular Weight 192.258 g/mol
SMILES c1cc(ccc1)CCC(C(OC)=O)C
SPLASH splash10-052o-9500000000-c990f177e64e8749cd3f
Synonyms 2-Methyl-4-phenylbutanoic acid methyl ester Methyl 2-methyl-4-phenyl-butanoate Methyl 2-methyl-4-phenylbutanoate
Wiley ID 1480538