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Phthalic acid, 2-ethylbutyl hexyl ester

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

Phthalic acid, 2-ethylbutyl hexyl ester
SpectraBase Compound ID IuB1GpdyoNv
InChI InChI=1S/C20H30O4/c1-4-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-15-16(5-2)6-3/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3
InChIKey HPYSYIYXHXSAIQ-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 IkB5XkvOesE
Name Phthalic acid, 2-ethylbutyl hexyl 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/c1-4-7-8-11-14-23-19(21)17-12-9-10-13-18(17)20(22)24-15-16(5-2)6-3/h9-10,12-13,16H,4-8,11,14-15H2,1-3H3
InChIKey HPYSYIYXHXSAIQ-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C1=CC=CC(=C1C(=O)OCCCCCC)C(OCC(CC)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934287