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2,2-Diphenylsuccinic acid, diheptadecyl ester

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

2,2-Diphenylsuccinic acid, diheptadecyl ester
SpectraBase Compound ID KSsZ7T2VDXe
InChI InChI=1S/C50H82O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-43-53-48(51)45-50(46-39-33-31-34-40-46,47-41-35-32-36-42-47)49(52)54-44-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-36,39-42H,3-30,37-38,43-45H2,1-2H3
InChIKey UNWCPDSQNKBRNZ-UHFFFAOYSA-N
Mol Weight 747.2 g/mol
Molecular Formula C50H82O4
Exact Mass 746.621311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J8YLf0xfl7H
Name 2,2-Diphenylsuccinic acid, diheptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 746.621311116 u
Formula C50H82O4
InChI InChI=1S/C50H82O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37-43-53-48(51)45-50(46-39-33-31-34-40-46,47-41-35-32-36-42-47)49(52)54-44-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-36,39-42H,3-30,37-38,43-45H2,1-2H3
InChIKey UNWCPDSQNKBRNZ-UHFFFAOYSA-N
Molecular Weight 747.202 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C(CC(OCCCCCCCCCCCCCCCCC)=O)(C=1C=CC=CC1)C=1C=CC=CC1)=O