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3-(2-Isopropyl-5-methylphenyl)-2-methylpropionic acid

View entire compound with spectra: 1 FTIR

3-(2-Isopropyl-5-methylphenyl)-2-methylpropionic acid
SpectraBase Compound ID 3w29Zy2Fxc7
InChI InChI=1S/C14H20O2/c1-9(2)13-6-5-10(3)7-12(13)8-11(4)14(15)16/h5-7,9,11H,8H2,1-4H3,(H,15,16)
InChIKey BBDABAJHPAUPRG-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DYAF8myzFT2
Name 3-(2-Isopropyl-5-methylphenyl)-2-methylpropionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-9(2)13-6-5-10(3)7-12(13)8-11(4)14(15)16/h5-7,9,11H,8H2,1-4H3,(H,15,16)
InChIKey BBDABAJHPAUPRG-UHFFFAOYSA-N
Molecular Weight 220.312 g/mol
SMILES C1=CC(=C(C=C1C)CC(C)C(O)=O)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879549