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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl octyl ester
SpectraBase Compound ID 5aFBU8EFDQu
InChI InChI=1S/C22H26ClNO4/c1-2-3-4-5-6-7-15-27-21(25)19-9-8-10-20(24-19)22(26)28-16-17-11-13-18(23)14-12-17/h8-14H,2-7,15-16H2,1H3
InChIKey VVYAAJCIRUSJGI-UHFFFAOYSA-N
Mol Weight 403.91 g/mol
Molecular Formula C22H26ClNO4
Exact Mass 403.155036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2G4DkQ5nMdc
Name 2,6-Pyridinedicarboxylic acid, 4-chlorobenzyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 403.155036017 u
Formula C22H26ClNO4
InChI InChI=1S/C22H26ClNO4/c1-2-3-4-5-6-7-15-27-21(25)19-9-8-10-20(24-19)22(26)28-16-17-11-13-18(23)14-12-17/h8-14H,2-7,15-16H2,1H3
InChIKey VVYAAJCIRUSJGI-UHFFFAOYSA-N
Molecular Weight 403.906 g/mol
SMILES CCCCCCCCOC(C=1N=C(C(OCC2=CC=C(C=C2)Cl)=O)C=CC1)=O