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2,6-Pyridinedicarboxylic acid, isobutyl pentadecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, isobutyl pentadecyl ester
SpectraBase Compound ID 3kieiyDtzfM
InChI InChI=1S/C26H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-25(28)23-18-17-19-24(27-23)26(29)31-21-22(2)3/h17-19,22H,4-16,20-21H2,1-3H3
InChIKey DCHCOTQTXMHQJN-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H43NO4
Exact Mass 433.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yXRtJDOzlx
Name 2,6-Pyridinedicarboxylic acid, isobutyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.319208865 u
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-25(28)23-18-17-19-24(27-23)26(29)31-21-22(2)3/h17-19,22H,4-16,20-21H2,1-3H3
InChIKey DCHCOTQTXMHQJN-UHFFFAOYSA-N
Molecular Weight 433.633 g/mol
SMILES CCCCCCCCCCCCCCCOC(C=1N=C(C(OCC(C)C)=O)C=CC1)=O