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2,2-Diphenylsuccinic acid, ditridecyl ester

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2,2-Diphenylsuccinic acid, ditridecyl ester
SpectraBase Compound ID 4EaLaisLRQ3
InChI InChI=1S/C42H66O4/c1-3-5-7-9-11-13-15-17-19-21-29-35-45-40(43)37-42(38-31-25-23-26-32-38,39-33-27-24-28-34-39)41(44)46-36-30-22-20-18-16-14-12-10-8-6-4-2/h23-28,31-34H,3-22,29-30,35-37H2,1-2H3
InChIKey KMSWELUFTKWZTQ-UHFFFAOYSA-N
Mol Weight 635.0 g/mol
Molecular Formula C42H66O4
Exact Mass 634.496111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Backaoc5uPy
Name 2,2-Diphenylsuccinic acid, ditridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 634.496110601 u
Formula C42H66O4
InChI InChI=1S/C42H66O4/c1-3-5-7-9-11-13-15-17-19-21-29-35-45-40(43)37-42(38-31-25-23-26-32-38,39-33-27-24-28-34-39)41(44)46-36-30-22-20-18-16-14-12-10-8-6-4-2/h23-28,31-34H,3-22,29-30,35-37H2,1-2H3
InChIKey KMSWELUFTKWZTQ-UHFFFAOYSA-N
Molecular Weight 634.986 g/mol
SMILES CCCCCCCCCCCCCOC(C(CC(OCCCCCCCCCCCCC)=O)(C=1C=CC=CC1)C=1C=CC=CC1)=O