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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl decyl ester
SpectraBase Compound ID G1U1xSn4NPo
InChI InChI=1S/C24H30ClNO4/c1-2-3-4-5-6-7-8-9-17-29-23(27)21-11-10-12-22(26-21)24(28)30-18-19-13-15-20(25)16-14-19/h10-16H,2-9,17-18H2,1H3
InChIKey GHXZRLCTCGUNLE-UHFFFAOYSA-N
Mol Weight 431.96 g/mol
Molecular Formula C24H30ClNO4
Exact Mass 431.186336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Ioh5FSsePS
Name 2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 431.186336146 u
Formula C24H30ClNO4
InChI InChI=1S/C24H30ClNO4/c1-2-3-4-5-6-7-8-9-17-29-23(27)21-11-10-12-22(26-21)24(28)30-18-19-13-15-20(25)16-14-19/h10-16H,2-9,17-18H2,1H3
InChIKey GHXZRLCTCGUNLE-UHFFFAOYSA-N
Molecular Weight 431.960 g/mol
SMILES CCCCCCCCCCOC(C=1N=C(C(OCC2=CC=C(C=C2)Cl)=O)C=CC1)=O