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2-(3-Isobutylphenyl)propionic acid

View entire compound with spectra: 1 FTIR

2-(3-Isobutylphenyl)propionic acid
SpectraBase Compound ID 5510HXmrQx1
InChI InChI=1S/C13H18O2/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H,14,15)
InChIKey SFVKLYXPBKITCE-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KxvQt3rJPYn
Name 2-(3-Isobutylphenyl)propionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 206.130679818 u
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9(2)7-11-5-4-6-12(8-11)10(3)13(14)15/h4-6,8-10H,7H2,1-3H3,(H,14,15)
InChIKey SFVKLYXPBKITCE-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C(C(C1=CC(=CC=C1)CC(C)C)C)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.861658