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2,6-Pyridinedicarboxylic acid, 3,5-dichlorobenzyl heptyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 3,5-dichlorobenzyl heptyl ester
SpectraBase Compound ID BoqJkfJfdeN
InChI InChI=1S/C21H23Cl2NO4/c1-2-3-4-5-6-10-27-20(25)18-8-7-9-19(24-18)21(26)28-14-15-11-16(22)13-17(23)12-15/h7-9,11-13H,2-6,10,14H2,1H3
InChIKey QOXSHOFQCIZJET-UHFFFAOYSA-N
Mol Weight 424.32 g/mol
Molecular Formula C21H23Cl2NO4
Exact Mass 423.100414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4wOgAOsqO49
Name 2,6-Pyridinedicarboxylic acid, 3,5-dichlorobenzyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 423.100413621 u
Formula C21H23Cl2NO4
InChI InChI=1S/C21H23Cl2NO4/c1-2-3-4-5-6-10-27-20(25)18-8-7-9-19(24-18)21(26)28-14-15-11-16(22)13-17(23)12-15/h7-9,11-13H,2-6,10,14H2,1H3
InChIKey QOXSHOFQCIZJET-UHFFFAOYSA-N
Molecular Weight 424.324 g/mol
SMILES CCCCCCCOC(C=1N=C(C(OCC2=CC(=CC(=C2)Cl)Cl)=O)C=CC1)=O