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2-(4-isobutyrylphenyl)propanoic acid
SpectraBase Compound ID 8zepqx8egxN
InChI InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16)
InChIKey RCINGEKPKJQCMO-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6j6GWRr3wCl
Name 2-(4-isobutyrylphenyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16)
InChIKey RCINGEKPKJQCMO-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES OC(C(c1ccc(cc1)C(C(C)C)=O)C)=O
SPLASH splash10-01b9-4960000000-dd84391e8d1636aae5f9
Source of Spectrum YongFang Rao, et al. Chemical Engineering Journal, V.283, 2016, P.65-75
Wiley ID 1815398