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Sebacic acid, 2,3-dichlorophenyl octyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3-dichlorophenyl octyl ester
SpectraBase Compound ID 8otPAk07qqO
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-10-13-19-29-22(27)17-11-8-6-7-9-12-18-23(28)30-21-16-14-15-20(25)24(21)26/h14-16H,2-13,17-19H2,1H3
InChIKey VZJQEVLDZGGDAF-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 HZla1eZN7XF
Name Sebacic acid, 2,3-dichlorophenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.199065035 u
Formula C24H36Cl2O4
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-10-13-19-29-22(27)17-11-8-6-7-9-12-18-23(28)30-21-16-14-15-20(25)24(21)26/h14-16H,2-13,17-19H2,1H3
InChIKey VZJQEVLDZGGDAF-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES C(CCCCCC(OC1=C(C(=CC=C1)Cl)Cl)=O)CCC(OCCCCCCCC)=O