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2-(p-Isobutylphenyl)-3-p-tolylacrylic acid

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 2 UV-Vis

2-(p-Isobutylphenyl)-3-p-tolylacrylic acid
SpectraBase Compound ID EkdqsrrTkID
InChI InChI=1S/C20H22O2/c1-14(2)12-16-8-10-18(11-9-16)19(20(21)22)13-17-6-4-15(3)5-7-17/h4-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKey SDBJDWRGVUYZQT-UHFFFAOYSA-N
Mol Weight 294.39 g/mol
Molecular Formula C20H22O2
Exact Mass 294.16198 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3se7fAmtqKg
Name 2-(p-Isobutylphenyl)-3-p-tolylacrylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.161979946 u
Formula C20H22O2
InChI InChI=1S/C20H22O2/c1-14(2)12-16-8-10-18(11-9-16)19(20(21)22)13-17-6-4-15(3)5-7-17/h4-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKey SDBJDWRGVUYZQT-UHFFFAOYSA-N
Molecular Weight 294.394 g/mol
SMILES OC(C(=CC1=CC=C(C=C1)C)C=1C=CC(=CC1)CC(C)C)=O
Spectrum/Structure Validation Score (Raman) 0.983718