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Phthalic acid, di(4-isopropylphenyl) ester

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

Phthalic acid, di(4-isopropylphenyl) ester
SpectraBase Compound ID 3hWoD09PoG
InChI InChI=1S/C26H26O4/c1-17(2)19-9-13-21(14-10-19)29-25(27)23-7-5-6-8-24(23)26(28)30-22-15-11-20(12-16-22)18(3)4/h5-18H,1-4H3
InChIKey HALKDACPHQGWCT-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C26H26O4
Exact Mass 402.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LrePfpfSuhC
Name Phthalic acid, di(4-isopropylphenyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.183109313 u
Formula C26H26O4
InChI InChI=1S/C26H26O4/c1-17(2)19-9-13-21(14-10-19)29-25(27)23-7-5-6-8-24(23)26(28)30-22-15-11-20(12-16-22)18(3)4/h5-18H,1-4H3
InChIKey HALKDACPHQGWCT-UHFFFAOYSA-N
Molecular Weight 402.490 g/mol
SMILES C(C1=CC=CC=C1C(OC1=CC=C(C(C)C)C=C1)=O)(=O)OC1=CC=C(C(C)C)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.884768