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Sebacic acid, butyl 4-(2-phenylpropyl-2)-phenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, butyl 4-(2-phenylpropyl-2)-phenyl ester
SpectraBase Compound ID 1D8oPiWAvvr
InChI InChI=1S/C29H40O4/c1-4-5-23-32-27(30)17-13-8-6-7-9-14-18-28(31)33-26-21-19-25(20-22-26)29(2,3)24-15-11-10-12-16-24/h10-12,15-16,19-22H,4-9,13-14,17-18,23H2,1-3H3
InChIKey NXOQVJQKJBUNNZ-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 F49wS13YIi5
Name Sebacic acid, butyl 4-(2-phenylpropyl-2)-phenyl 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/c1-4-5-23-32-27(30)17-13-8-6-7-9-14-18-28(31)33-26-21-19-25(20-22-26)29(2,3)24-15-11-10-12-16-24/h10-12,15-16,19-22H,4-9,13-14,17-18,23H2,1-3H3
InChIKey NXOQVJQKJBUNNZ-UHFFFAOYSA-N
Molecular Weight 452.635 g/mol
SMILES C(CCCCCC(OC1=CC=C(C(C2=CC=CC=C2)(C)C)C=C1)=O)CCC(OCCCC)=O