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2,6-Pyridinedicarboxylic acid, 3-methylpent-2-yl tridecyl ester
SpectraBase Compound ID 7tb4pFQHAnI
InChI InChI=1S/C26H43NO4/c1-5-7-8-9-10-11-12-13-14-15-16-20-30-25(28)23-18-17-19-24(27-23)26(29)31-22(4)21(3)6-2/h17-19,21-22H,5-16,20H2,1-4H3
InChIKey HBXQAFFOABRCLU-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 EEDFecDjjZM
Name 2,6-Pyridinedicarboxylic acid, 3-methylpent-2-yl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.319208865 u
Formula C26H43NO4
InChI InChI=1S/C26H43NO4/c1-5-7-8-9-10-11-12-13-14-15-16-20-30-25(28)23-18-17-19-24(27-23)26(29)31-22(4)21(3)6-2/h17-19,21-22H,5-16,20H2,1-4H3
InChIKey HBXQAFFOABRCLU-UHFFFAOYSA-N
Molecular Weight 433.633 g/mol
SMILES CC(OC(C1=NC(C(OCCCCCCCCCCCCC)=O)=CC=C1)=O)C(CC)C