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Sebacic acid, 2,5-dichlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,5-dichlorophenyl octyl ester
SpectraBase Compound ID E0cRhwOWGRV
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)30-22-19-20(25)16-17-21(22)26/h16-17,19H,2-15,18H2,1H3
InChIKey RTUXMYQOEDAYDV-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 IVNrZhbafA3
Name Sebacic acid, 2,5-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/c1-2-3-4-5-10-13-18-29-23(27)14-11-8-6-7-9-12-15-24(28)30-22-19-20(25)16-17-21(22)26/h16-17,19H,2-15,18H2,1H3
InChIKey RTUXMYQOEDAYDV-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES C(C(OC1=C(C=CC(=C1)Cl)Cl)=O)CCCCCCCC(OCCCCCCCC)=O