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Pimelic acid, undecyl 3,5-dichlorobenzyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, undecyl 3,5-dichlorobenzyl ester
SpectraBase Compound ID AxWQFPsVYqG
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-6-7-8-9-13-16-30-24(28)14-11-10-12-15-25(29)31-20-21-17-22(26)19-23(27)18-21/h17-19H,2-16,20H2,1H3
InChIKey FZNRTVPVWKACRY-UHFFFAOYSA-N
Mol Weight 473.5 g/mol
Molecular Formula C25H38Cl2O4
Exact Mass 472.214715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3k6z0fzBUo
Name Pimelic acid, undecyl 3,5-dichlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.214715100 u
Formula C25H38Cl2O4
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-6-7-8-9-13-16-30-24(28)14-11-10-12-15-25(29)31-20-21-17-22(26)19-23(27)18-21/h17-19H,2-16,20H2,1H3
InChIKey FZNRTVPVWKACRY-UHFFFAOYSA-N
Molecular Weight 473.481 g/mol
SMILES C(OCC=1C=C(C=C(Cl)C1)Cl)(=O)CCCCCC(OCCCCCCCCCCC)=O