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2,6-Pyridinedicarboxylic acid, 2-methylbutyl nonyl ester

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2,6-Pyridinedicarboxylic acid, 2-methylbutyl nonyl ester
SpectraBase Compound ID GELGoKCENCQ
InChI InChI=1S/C21H33NO4/c1-4-6-7-8-9-10-11-15-25-20(23)18-13-12-14-19(22-18)21(24)26-16-17(3)5-2/h12-14,17H,4-11,15-16H2,1-3H3
InChIKey XNJJFHIJARTIEN-UHFFFAOYSA-N
Mol Weight 363.5 g/mol
Molecular Formula C21H33NO4
Exact Mass 363.240959 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ad1l2rRRQDG
Name 2,6-Pyridinedicarboxylic acid, 2-methylbutyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.240958543 u
Formula C21H33NO4
InChI InChI=1S/C21H33NO4/c1-4-6-7-8-9-10-11-15-25-20(23)18-13-12-14-19(22-18)21(24)26-16-17(3)5-2/h12-14,17H,4-11,15-16H2,1-3H3
InChIKey XNJJFHIJARTIEN-UHFFFAOYSA-N
Molecular Weight 363.498 g/mol
SMILES CCCCCCCCCOC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O