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2,5-Diphenylhexanedioic acid

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

2,5-Diphenylhexanedioic acid
SpectraBase Compound ID 6dXyqcTfk0S
InChI InChI=1S/C18H18O4/c19-17(20)15(13-7-3-1-4-8-13)11-12-16(18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)
InChIKey ZEUFEFSWMUFREP-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HuQTKZyoxWE
Name 2,5-Diphenylhexanedioic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c19-17(20)15(13-7-3-1-4-8-13)11-12-16(18(21)22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)(H,21,22)
InChIKey ZEUFEFSWMUFREP-UHFFFAOYSA-N
Molecular Weight 298.338 g/mol
SMILES OC(C(CCC(C(O)=O)C=1C=CC=CC1)C=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Raman) 0.799621