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2,6-Pyridinedicarboxylic acid, di(4-chlorobenzyl) ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, di(4-chlorobenzyl) ester
SpectraBase Compound ID FYbYeHL83x5
InChI InChI=1S/C21H15Cl2NO4/c22-16-8-4-14(5-9-16)12-27-20(25)18-2-1-3-19(24-18)21(26)28-13-15-6-10-17(23)11-7-15/h1-11H,12-13H2
InChIKey JTWHVQWGRBSVLL-UHFFFAOYSA-N
Mol Weight 416.26 g/mol
Molecular Formula C21H15Cl2NO4
Exact Mass 415.037813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KR0NNtAtWsz
Name 2,6-Pyridinedicarboxylic acid, di(4-chlorobenzyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 415.037813363 u
Formula C21H15Cl2NO4
InChI InChI=1S/C21H15Cl2NO4/c22-16-8-4-14(5-9-16)12-27-20(25)18-2-1-3-19(24-18)21(26)28-13-15-6-10-17(23)11-7-15/h1-11H,12-13H2
InChIKey JTWHVQWGRBSVLL-UHFFFAOYSA-N
Molecular Weight 416.260 g/mol
SMILES C1(=CC=C(C=C1)COC(C=1N=C(C(OCC2=CC=C(C=C2)Cl)=O)C=CC1)=O)Cl