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Sebacic acid, 2,4-dichlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,4-dichlorophenyl octyl ester
SpectraBase Compound ID hN0obzVfyw
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-10-13-18-29-23(27)14-11-8-6-7-9-12-15-24(28)30-22-17-16-20(25)19-21(22)26/h16-17,19H,2-15,18H2,1H3
InChIKey OHUAAUWLRKWOOK-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 2jbBY5cuQ9B
Name Sebacic acid, 2,4-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/c1-2-3-4-5-10-13-18-29-23(27)14-11-8-6-7-9-12-15-24(28)30-22-17-16-20(25)19-21(22)26/h16-17,19H,2-15,18H2,1H3
InChIKey OHUAAUWLRKWOOK-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES C(CCCCCCC(OC1=CC=C(C=C1Cl)Cl)=O)CC(OCCCCCCCC)=O