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3-Methylbut-2-enoic acid, 4-isopropylphenyl ester

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

3-Methylbut-2-enoic acid, 4-isopropylphenyl ester
SpectraBase Compound ID 2Gue6lN5NcX
InChI InChI=1S/C14H18O2/c1-10(2)9-14(15)16-13-7-5-12(6-8-13)11(3)4/h5-9,11H,1-4H3
InChIKey UGPXKRHAJFJCHN-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AkXEjxNQMHy
Name 3-Methylbut-2-enoic acid, 4-isopropylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c1-10(2)9-14(15)16-13-7-5-12(6-8-13)11(3)4/h5-9,11H,1-4H3
InChIKey UGPXKRHAJFJCHN-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C(=C(C)C)C(=O)OC1=CC=C(C(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838701