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3-(5-Isopropyl-o-toluoyl)propionic acid

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

3-(5-Isopropyl-o-toluoyl)propionic acid
SpectraBase Compound ID Jlmely2wo8z
InChI InChI=1S/C14H18O3/c1-9(2)11-5-4-10(3)12(8-11)13(15)6-7-14(16)17/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKey RZVWLKSJLLSYSE-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DCcuWP6XXHs
Name 3-(5-Isopropyl-o-toluoyl)propionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.125594437 u
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-9(2)11-5-4-10(3)12(8-11)13(15)6-7-14(16)17/h4-5,8-9H,6-7H2,1-3H3,(H,16,17)
InChIKey RZVWLKSJLLSYSE-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES OC(CCC(C1=C(C=CC(=C1)C(C)C)C)=O)=O
Spectrum/Structure Validation Score (Raman) 0.90658