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Pimelic acid, 3,4-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 3,4-dichlorophenyl dodecyl ester
SpectraBase Compound ID EWBRSHLtYui
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-6-7-8-9-10-14-19-30-24(28)15-12-11-13-16-25(29)31-21-17-18-22(26)23(27)20-21/h17-18,20H,2-16,19H2,1H3
InChIKey FVCYIWCXSHYLOM-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 5qXM9pmrsgv
Name Pimelic acid, 3,4-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.214715100 u
Formula C25H38Cl2O4
InChI InChI=1S/C25H38Cl2O4/c1-2-3-4-5-6-7-8-9-10-14-19-30-24(28)15-12-11-13-16-25(29)31-21-17-18-22(26)23(27)20-21/h17-18,20H,2-16,19H2,1H3
InChIKey FVCYIWCXSHYLOM-UHFFFAOYSA-N
Molecular Weight 473.481 g/mol
SMILES C(OC1=CC(=C(C=C1)Cl)Cl)(=O)CCCCCC(OCCCCCCCCCCCC)=O