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2,6-Pyridinedicarboxylic acid, hexyl 5-methoxy-3-methylpent-2-yl ester
SpectraBase Compound ID A3FSQ15xxJN
InChI InChI=1S/C20H31NO5/c1-5-6-7-8-13-25-19(22)17-10-9-11-18(21-17)20(23)26-16(3)15(2)12-14-24-4/h9-11,15-16H,5-8,12-14H2,1-4H3
InChIKey LLIDIZFNXQLIBO-UHFFFAOYSA-N
Mol Weight 365.47 g/mol
Molecular Formula C20H31NO5
Exact Mass 365.220223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BzflCuNoD6x
Name 2,6-Pyridinedicarboxylic acid, hexyl 5-methoxy-3-methylpent-2-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 365.220223097 u
Formula C20H31NO5
InChI InChI=1S/C20H31NO5/c1-5-6-7-8-13-25-19(22)17-10-9-11-18(21-17)20(23)26-16(3)15(2)12-14-24-4/h9-11,15-16H,5-8,12-14H2,1-4H3
InChIKey LLIDIZFNXQLIBO-UHFFFAOYSA-N
Molecular Weight 365.470 g/mol
SMILES CC(OC(C1=NC(C(OCCCCCC)=O)=CC=C1)=O)C(CCOC)C