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Phthalic acid, benzyl 2-ethylhexyl ester

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

Phthalic acid, benzyl 2-ethylhexyl ester
SpectraBase Compound ID 2N7TcjmIPu5
InChI InChI=1S/C23H28O4/c1-3-5-11-18(4-2)16-26-22(24)20-14-9-10-15-21(20)23(25)27-17-19-12-7-6-8-13-19/h6-10,12-15,18H,3-5,11,16-17H2,1-2H3
InChIKey RVBLXUAPXWEIPM-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DA7UnfVD3ve
Name Phthalic acid, benzyl 2-ethylhexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-3-5-11-18(4-2)16-26-22(24)20-14-9-10-15-21(20)23(25)27-17-19-12-7-6-8-13-19/h6-10,12-15,18H,3-5,11,16-17H2,1-2H3
InChIKey RVBLXUAPXWEIPM-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCC1=CC=CC=C1)C(=O)OCC(CCCC)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.870925