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2,6-Pyridinedicarboxylic acid, butyl 2-methylbutyl ester
SpectraBase Compound ID Fpt0KhagnzI
InChI InChI=1S/C16H23NO4/c1-4-6-10-20-15(18)13-8-7-9-14(17-13)16(19)21-11-12(3)5-2/h7-9,12H,4-6,10-11H2,1-3H3
InChIKey PAATVMUOMBFSQT-UHFFFAOYSA-N
Mol Weight 293.36 g/mol
Molecular Formula C16H23NO4
Exact Mass 293.162708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VpCEXqqYVv
Name 2,6-Pyridinedicarboxylic acid, butyl 2-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 293.162708221 u
Formula C16H23NO4
InChI InChI=1S/C16H23NO4/c1-4-6-10-20-15(18)13-8-7-9-14(17-13)16(19)21-11-12(3)5-2/h7-9,12H,4-6,10-11H2,1-3H3
InChIKey PAATVMUOMBFSQT-UHFFFAOYSA-N
SMILES CCCCOC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O