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2,6-Pyridinedicarboxylic acid, 3-methylbutyl nonyl ester
SpectraBase Compound ID 90QqSIzf7FZ
InChI InChI=1S/C21H33NO4/c1-4-5-6-7-8-9-10-15-25-20(23)18-12-11-13-19(22-18)21(24)26-16-14-17(2)3/h11-13,17H,4-10,14-16H2,1-3H3
InChIKey HXERBTXHPAZDPW-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 UkHVEMyZUe
Name 2,6-Pyridinedicarboxylic acid, 3-methylbutyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 363.240958543 u
Formula C21H33NO4
InChI InChI=1S/C21H33NO4/c1-4-5-6-7-8-9-10-15-25-20(23)18-12-11-13-19(22-18)21(24)26-16-14-17(2)3/h11-13,17H,4-10,14-16H2,1-3H3
InChIKey HXERBTXHPAZDPW-UHFFFAOYSA-N
Molecular Weight 363.498 g/mol
SMILES CC(CCOC(C1=NC(C(OCCCCCCCCC)=O)=CC=C1)=O)C