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Phthalic acid, 2-ethylhexyl isobutyl ester

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

Phthalic acid, 2-ethylhexyl isobutyl ester
SpectraBase Compound ID LSHF8dZVL8F
InChI InChI=1S/C20H30O4/c1-5-7-10-16(6-2)14-24-20(22)18-12-9-8-11-17(18)19(21)23-13-15(3)4/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3
InChIKey GEWZPNMYMLQKGF-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 9ZbLqTHi0ou
Name Phthalic acid, 2-ethylhexyl isobutyl 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/c1-5-7-10-16(6-2)14-24-20(22)18-12-9-8-11-17(18)19(21)23-13-15(3)4/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3
InChIKey GEWZPNMYMLQKGF-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C1=C(C(C(OCC(CCCC)CC)=O)=CC=C1)C(=O)OCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905468