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4,4'-Oxydibenzoic acid, diphenyl ester

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)

4,4'-Oxydibenzoic acid, diphenyl ester
SpectraBase Compound ID BedBSO2iObI
InChI InChI=1S/C26H18O5/c27-25(30-21-7-3-1-4-8-21)19-11-15-23(16-12-19)29-24-17-13-20(14-18-24)26(28)31-22-9-5-2-6-10-22/h1-18H
InChIKey IGAMXLXXKPNRAC-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C26H18O5
Exact Mass 410.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3phE3mJeXT
Name 4,4'-Oxydibenzoic acid, diphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.115423675 u
Formula C26H18O5
InChI InChI=1S/C26H18O5/c27-25(30-21-7-3-1-4-8-21)19-11-15-23(16-12-19)29-24-17-13-20(14-18-24)26(28)31-22-9-5-2-6-10-22/h1-18H
InChIKey IGAMXLXXKPNRAC-UHFFFAOYSA-N
Molecular Weight 410.425 g/mol
SMILES C=1C(=CC=CC1)OC(C=1C=CC(=CC1)OC=1C=CC(=CC1)C(OC=1C=CC=CC1)=O)=O