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2,6-Pyridinedicarboxylic acid, decyl 2-octyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, decyl 2-octyl ester
SpectraBase Compound ID HYWb6iwEDXv
InChI InChI=1S/C25H41NO4/c1-4-6-8-10-11-12-13-15-20-29-24(27)22-18-16-19-23(26-22)25(28)30-21(3)17-14-9-7-5-2/h16,18-19,21H,4-15,17,20H2,1-3H3
InChIKey VQRWYTPIWRBCFT-UHFFFAOYSA-N
Mol Weight 419.6 g/mol
Molecular Formula C25H41NO4
Exact Mass 419.303559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KsanMUnanYw
Name 2,6-Pyridinedicarboxylic acid, decyl 2-octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 419.303558800 u
Formula C25H41NO4
InChI InChI=1S/C25H41NO4/c1-4-6-8-10-11-12-13-15-20-29-24(27)22-18-16-19-23(26-22)25(28)30-21(3)17-14-9-7-5-2/h16,18-19,21H,4-15,17,20H2,1-3H3
InChIKey VQRWYTPIWRBCFT-UHFFFAOYSA-N
Molecular Weight 419.606 g/mol
SMILES CC(OC(C1=NC(C(OCCCCCCCCCC)=O)=CC=C1)=O)CCCCCC