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Succinic acid, 4-biphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-biphenyl tridecyl ester
SpectraBase Compound ID HgdS6hcY84e
InChI InChI=1S/C29H40O4/c1-2-3-4-5-6-7-8-9-10-11-15-24-32-28(30)22-23-29(31)33-27-20-18-26(19-21-27)25-16-13-12-14-17-25/h12-14,16-21H,2-11,15,22-24H2,1H3
InChIKey UFPFJRJSOGBSQA-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C29H40O4
Exact Mass 452.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0Dug2BQt7R
Name Succinic acid, 4-biphenyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.292659764 u
Formula C29H40O4
InChI InChI=1S/C29H40O4/c1-2-3-4-5-6-7-8-9-10-11-15-24-32-28(30)22-23-29(31)33-27-20-18-26(19-21-27)25-16-13-12-14-17-25/h12-14,16-21H,2-11,15,22-24H2,1H3
InChIKey UFPFJRJSOGBSQA-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES C(C(OC1=CC=C(C2=CC=CC=C2)C=C1)=O)CC(OCCCCCCCCCCCCC)=O