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Sebacic acid, 2,3-dichlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,3-dichlorophenyl undecyl ester
SpectraBase Compound ID J7Rq5rGJ3sF
InChI InChI=1S/C27H42Cl2O4/c1-2-3-4-5-6-7-10-13-16-22-32-25(30)20-14-11-8-9-12-15-21-26(31)33-24-19-17-18-23(28)27(24)29/h17-19H,2-16,20-22H2,1H3
InChIKey MOCKQMUFIOZFJO-UHFFFAOYSA-N
Mol Weight 501.5 g/mol
Molecular Formula C27H42Cl2O4
Exact Mass 500.246015 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FL8lFkdtdoL
Name Sebacic acid, 2,3-dichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 500.246015228 u
Formula C27H42Cl2O4
InChI InChI=1S/C27H42Cl2O4/c1-2-3-4-5-6-7-10-13-16-22-32-25(30)20-14-11-8-9-12-15-21-26(31)33-24-19-17-18-23(28)27(24)29/h17-19H,2-16,20-22H2,1H3
InChIKey MOCKQMUFIOZFJO-UHFFFAOYSA-N
Molecular Weight 501.535 g/mol
SMILES C(CCCCCC(OC1=C(C(=CC=C1)Cl)Cl)=O)CCC(OCCCCCCCCCCC)=O