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Pimelic acid, decyl 2,6-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, decyl 2,6-dichlorophenyl ester
SpectraBase Compound ID 2nPDKPhUJz1
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-5-6-7-8-12-18-28-21(26)16-10-9-11-17-22(27)29-23-19(24)14-13-15-20(23)25/h13-15H,2-12,16-18H2,1H3
InChIKey CQXNXRJBFRYWHS-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 4OeLRYdF1Hb
Name Pimelic acid, decyl 2,6-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.183414971 u
Formula C23H34Cl2O4
InChI InChI=1S/C23H34Cl2O4/c1-2-3-4-5-6-7-8-12-18-28-21(26)16-10-9-11-17-22(27)29-23-19(24)14-13-15-20(23)25/h13-15H,2-12,16-18H2,1H3
InChIKey CQXNXRJBFRYWHS-UHFFFAOYSA-N
Molecular Weight 445.427 g/mol
SMILES C(OC1=C(C=CC=C1Cl)Cl)(=O)CCCCCC(OCCCCCCCCCC)=O