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Sebacic acid, 3,5-dichlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 3,5-dichlorophenyl octyl ester
SpectraBase Compound ID 6rvZEa6ZgyQ
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-10-13-16-29-23(27)14-11-8-6-7-9-12-15-24(28)30-22-18-20(25)17-21(26)19-22/h17-19H,2-16H2,1H3
InChIKey TUJGKOLUQCPFBW-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C24H36Cl2O4
Exact Mass 458.199065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BtCcXhX55TL
Name Sebacic acid, 3,5-dichlorophenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.199065035 u
Formula C24H36Cl2O4
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-10-13-16-29-23(27)14-11-8-6-7-9-12-15-24(28)30-22-18-20(25)17-21(26)19-22/h17-19H,2-16H2,1H3
InChIKey TUJGKOLUQCPFBW-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES C(CCCCC(OC1=CC(=CC(=C1)Cl)Cl)=O)CCCC(OCCCCCCCC)=O