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Pimelic acid, 2,6-dichlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2,6-dichlorophenyl undecyl ester
SpectraBase Compound ID evdDkBFnwX
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-6-7-8-9-13-19-29-22(27)17-11-10-12-18-23(28)30-24-20(25)15-14-16-21(24)26/h14-16H,2-13,17-19H2,1H3
InChIKey RYNORBLVAQZMNQ-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 EAUOKXLfk6h
Name Pimelic acid, 2,6-dichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.199065035 u
Formula C24H36Cl2O4
InChI InChI=1S/C24H36Cl2O4/c1-2-3-4-5-6-7-8-9-13-19-29-22(27)17-11-10-12-18-23(28)30-24-20(25)15-14-16-21(24)26/h14-16H,2-13,17-19H2,1H3
InChIKey RYNORBLVAQZMNQ-UHFFFAOYSA-N
Molecular Weight 459.454 g/mol
SMILES C(OC1=C(C=CC=C1Cl)Cl)(=O)CCCCCC(OCCCCCCCCCCC)=O