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Sebacic acid, 2,3-dichlorophenyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3-dichlorophenyl heptyl ester
SpectraBase Compound ID EC1zUMJIkqn
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-9-12-18-28-21(26)16-10-7-5-6-8-11-17-22(27)29-20-15-13-14-19(24)23(20)25/h13-15H,2-12,16-18H2,1H3
InChIKey LNWHGQIXOQKXJL-UHFFFAOYSA-N
Mol Weight 445.4 g/mol
Molecular Formula C23H34Cl2O4
Exact Mass 444.183415 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFTeLQ0fSw8
Name Sebacic acid, 2,3-dichlorophenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.183414971 u
Formula C23H34Cl2O4
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-9-12-18-28-21(26)16-10-7-5-6-8-11-17-22(27)29-20-15-13-14-19(24)23(20)25/h13-15H,2-12,16-18H2,1H3
InChIKey LNWHGQIXOQKXJL-UHFFFAOYSA-N
Molecular Weight 445.427 g/mol
SMILES C(CCCCCC(OC1=C(C(=CC=C1)Cl)Cl)=O)CCC(OCCCCCCC)=O