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2,2-Diphenylsuccinic acid, dioctyl ester

View entire compound with spectra: 2 NMR, and 1 FTIR

2,2-Diphenylsuccinic acid, dioctyl ester
SpectraBase Compound ID 30jgJaWZoLi
InChI InChI=1S/C32H46O4/c1-3-5-7-9-11-19-25-35-30(33)27-32(28-21-15-13-16-22-28,29-23-17-14-18-24-29)31(34)36-26-20-12-10-8-6-4-2/h13-18,21-24H,3-12,19-20,25-27H2,1-2H3
InChIKey HKSUWQNBEVFNJW-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C32H46O4
Exact Mass 494.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2c2NIYjTPMP
Name 2,2-Diphenylsuccinic acid, dioctyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 494.339609957 u
Formula C32H46O4
InChI InChI=1S/C32H46O4/c1-3-5-7-9-11-19-25-35-30(33)27-32(28-21-15-13-16-22-28,29-23-17-14-18-24-29)31(34)36-26-20-12-10-8-6-4-2/h13-18,21-24H,3-12,19-20,25-27H2,1-2H3
InChIKey HKSUWQNBEVFNJW-UHFFFAOYSA-N
Molecular Weight 494.716 g/mol
SMILES CCCCCCCCOC(C(CC(OCCCCCCCC)=O)(C=1C=CC=CC1)C=1C=CC=CC1)=O