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2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl heptyl ester
SpectraBase Compound ID LgeUU1TnEgt
InChI InChI=1S/C21H24ClNO4/c1-2-3-4-5-6-14-26-20(24)18-8-7-9-19(23-18)21(25)27-15-16-10-12-17(22)13-11-16/h7-13H,2-6,14-15H2,1H3
InChIKey ZQUKOGMMIFYMAO-UHFFFAOYSA-N
Mol Weight 389.88 g/mol
Molecular Formula C21H24ClNO4
Exact Mass 389.139386 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B17OAMFN4NB
Name 2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.139385953 u
Formula C21H24ClNO4
InChI InChI=1S/C21H24ClNO4/c1-2-3-4-5-6-14-26-20(24)18-8-7-9-19(23-18)21(25)27-15-16-10-12-17(22)13-11-16/h7-13H,2-6,14-15H2,1H3
InChIKey ZQUKOGMMIFYMAO-UHFFFAOYSA-N
Molecular Weight 389.879 g/mol
SMILES CCCCCCCOC(C=1N=C(C(OCC2=CC=C(C=C2)Cl)=O)C=CC1)=O