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Phthalic acid, butyl 2-phenylethyl ester

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

Phthalic acid, butyl 2-phenylethyl ester
SpectraBase Compound ID IhUcaFKCHPe
InChI InChI=1S/C20H22O4/c1-2-3-14-23-19(21)17-11-7-8-12-18(17)20(22)24-15-13-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3
InChIKey SKLDSBDDFLLJHC-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LqH2WNfC9lM
Name Phthalic acid, butyl 2-phenylethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.151809184 u
Formula C20H22O4
InChI InChI=1S/C20H22O4/c1-2-3-14-23-19(21)17-11-7-8-12-18(17)20(22)24-15-13-16-9-5-4-6-10-16/h4-12H,2-3,13-15H2,1H3
InChIKey SKLDSBDDFLLJHC-UHFFFAOYSA-N
Molecular Weight 326.392 g/mol
SMILES C(COC(C1=C(C(OCCCC)=O)C=CC=C1)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.858983