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2,6-Pyridinedicarboxylic acid, 3-methylbutyl tetradecyl ester
SpectraBase Compound ID CBzDnJ9Xsvo
InChI InChI=1S/C26H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(28)23-17-16-18-24(27-23)26(29)31-21-19-22(2)3/h16-18,22H,4-15,19-21H2,1-3H3
InChIKey HDIMTVKHHXTUJT-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 LB5AgIhwkLA
Name 2,6-Pyridinedicarboxylic acid, 3-methylbutyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.319208865 u
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(28)23-17-16-18-24(27-23)26(29)31-21-19-22(2)3/h16-18,22H,4-15,19-21H2,1-3H3
InChIKey HDIMTVKHHXTUJT-UHFFFAOYSA-N
Molecular Weight 433.633 g/mol
SMILES CC(CCOC(C1=NC(C(OCCCCCCCCCCCCCC)=O)=CC=C1)=O)C