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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 3,5-dichlorobenzyl hexyl ester
SpectraBase Compound ID 233eSHdRYs7
InChI InChI=1S/C20H21Cl2NO4/c1-2-3-4-5-9-26-19(24)17-7-6-8-18(23-17)20(25)27-13-14-10-15(21)12-16(22)11-14/h6-8,10-12H,2-5,9,13H2,1H3
InChIKey NZTGFIHPUCXMNU-UHFFFAOYSA-N
Mol Weight 410.3 g/mol
Molecular Formula C20H21Cl2NO4
Exact Mass 409.084764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KT18SIXPCgV
Name 2,6-Pyridinedicarboxylic acid, 3,5-dichlorobenzyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 409.084763556 u
Formula C20H21Cl2NO4
InChI InChI=1S/C20H21Cl2NO4/c1-2-3-4-5-9-26-19(24)17-7-6-8-18(23-17)20(25)27-13-14-10-15(21)12-16(22)11-14/h6-8,10-12H,2-5,9,13H2,1H3
InChIKey NZTGFIHPUCXMNU-UHFFFAOYSA-N
Molecular Weight 410.297 g/mol
SMILES CCCCCCOC(C=1N=C(C(OCC2=CC(=CC(=C2)Cl)Cl)=O)C=CC1)=O