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Isophthalic acid, di(2-ethylbutyl) ester

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

Isophthalic acid, di(2-ethylbutyl) ester
SpectraBase Compound ID JKAYbJ2W6nw
InChI InChI=1S/C20H30O4/c1-5-15(6-2)13-23-19(21)17-10-9-11-18(12-17)20(22)24-14-16(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKey FBHBQBWUWMWLQU-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LryurZraHsm
Name Isophthalic acid, di(2-ethylbutyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-5-15(6-2)13-23-19(21)17-10-9-11-18(12-17)20(22)24-14-16(7-3)8-4/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKey FBHBQBWUWMWLQU-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCC(CC)CC)C(OCC(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96756