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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, butyl 3,5-dichlorobenzyl ester
SpectraBase Compound ID KVrv4cP0GbR
InChI InChI=1S/C18H17Cl2NO4/c1-2-3-7-24-17(22)15-5-4-6-16(21-15)18(23)25-11-12-8-13(19)10-14(20)9-12/h4-6,8-10H,2-3,7,11H2,1H3
InChIKey OGLPKOINLDSECB-UHFFFAOYSA-N
Mol Weight 382.24 g/mol
Molecular Formula C18H17Cl2NO4
Exact Mass 381.053463 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KcWFuOHsVNz
Name 2,6-Pyridinedicarboxylic acid, butyl 3,5-dichlorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.053463427 u
Formula C18H17Cl2NO4
InChI InChI=1S/C18H17Cl2NO4/c1-2-3-7-24-17(22)15-5-4-6-16(21-15)18(23)25-11-12-8-13(19)10-14(20)9-12/h4-6,8-10H,2-3,7,11H2,1H3
InChIKey OGLPKOINLDSECB-UHFFFAOYSA-N
Molecular Weight 382.243 g/mol
SMILES CCCCOC(C=1N=C(C(OCC2=CC(=CC(=C2)Cl)Cl)=O)C=CC1)=O