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Diphenic acid, diisobutyl ester

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

Diphenic acid, diisobutyl ester
SpectraBase Compound ID 9xCGRmci2Pb
InChI InChI=1S/C22H26O4/c1-15(2)13-25-21(23)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22(24)26-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3
InChIKey GWQSAHACEYLGRM-UHFFFAOYSA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7hSn89eDAkE
Name Diphenic acid, diisobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-15(2)13-25-21(23)19-11-7-5-9-17(19)18-10-6-8-12-20(18)22(24)26-14-16(3)4/h5-12,15-16H,13-14H2,1-4H3
InChIKey GWQSAHACEYLGRM-UHFFFAOYSA-N
Molecular Weight 354.446 g/mol
SMILES C1=CC(=C(C=C1)C=1C(=CC=CC1)C(=O)OCC(C)C)C(=O)OCC(C)C
Spectrum/Structure Validation Score (Raman) 0.951428