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Succinic acid, 2-ethylhexyl 3-ethylphenyl ester

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

Succinic acid, 2-ethylhexyl 3-ethylphenyl ester
SpectraBase Compound ID 8pUZK2klmhm
InChI InChI=1S/C20H30O4/c1-4-7-9-17(6-3)15-23-19(21)12-13-20(22)24-18-11-8-10-16(5-2)14-18/h8,10-11,14,17H,4-7,9,12-13,15H2,1-3H3
InChIKey IPQBIKAIHKPAIH-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 FrtlJgRRVVI
Name Succinic acid, 2-ethylhexyl 3-ethylphenyl 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/c1-4-7-9-17(6-3)15-23-19(21)12-13-20(22)24-18-11-8-10-16(5-2)14-18/h8,10-11,14,17H,4-7,9,12-13,15H2,1-3H3
InChIKey IPQBIKAIHKPAIH-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(CC(OCC(CC)CCCC)=O)C(OC1=CC(=CC=C1)CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835788