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Phthalic acid, propyl 2-propylphenyl ester

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

Phthalic acid, propyl 2-propylphenyl ester
SpectraBase Compound ID Gr8AfHiVBGq
InChI InChI=1S/C20H22O4/c1-3-9-15-10-5-8-13-18(15)24-20(22)17-12-7-6-11-16(17)19(21)23-14-4-2/h5-8,10-13H,3-4,9,14H2,1-2H3
InChIKey YAYZBIVHXTZOQO-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 KyHDpzD9dpP
Name Phthalic acid, propyl 2-propylphenyl 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/c1-3-9-15-10-5-8-13-18(15)24-20(22)17-12-7-6-11-16(17)19(21)23-14-4-2/h5-8,10-13H,3-4,9,14H2,1-2H3
InChIKey YAYZBIVHXTZOQO-UHFFFAOYSA-N
Molecular Weight 326.392 g/mol
SMILES C1(=CC=CC=C1C(OCCC)=O)C(OC=1C(CCC)=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833858