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2,2-Diphenylsuccinic acid, didecyl ester

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

2,2-Diphenylsuccinic acid, didecyl ester
SpectraBase Compound ID 6NygD8KuP9N
InChI InChI=1S/C36H54O4/c1-3-5-7-9-11-13-15-23-29-39-34(37)31-36(32-25-19-17-20-26-32,33-27-21-18-22-28-33)35(38)40-30-24-16-14-12-10-8-6-4-2/h17-22,25-28H,3-16,23-24,29-31H2,1-2H3
InChIKey KBZYPONUIAQGLJ-UHFFFAOYSA-N
Mol Weight 550.8 g/mol
Molecular Formula C36H54O4
Exact Mass 550.40221 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3KrVCl32eID
Name 2,2-Diphenylsuccinic acid, didecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.402210215 u
Formula C36H54O4
InChI InChI=1S/C36H54O4/c1-3-5-7-9-11-13-15-23-29-39-34(37)31-36(32-25-19-17-20-26-32,33-27-21-18-22-28-33)35(38)40-30-24-16-14-12-10-8-6-4-2/h17-22,25-28H,3-16,23-24,29-31H2,1-2H3
InChIKey KBZYPONUIAQGLJ-UHFFFAOYSA-N
Molecular Weight 550.824 g/mol
SMILES C1=CC(=CC=C1)C(C1=CC=CC=C1)(C(=O)OCCCCCCCCCC)CC(=O)OCCCCCCCCCC
Spectrum/Structure Validation Score (Raman) 0.9001