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2,6-Pyridinedicarboxylic acid, dodecyl isobutyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, dodecyl isobutyl ester
SpectraBase Compound ID Lp6rVx6LDuw
InChI InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-17-27-22(25)20-15-14-16-21(24-20)23(26)28-18-19(2)3/h14-16,19H,4-13,17-18H2,1-3H3
InChIKey LBZUIRAXRCQLIS-UHFFFAOYSA-N
Mol Weight 391.6 g/mol
Molecular Formula C23H37NO4
Exact Mass 391.272259 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2PzZMUEowjZ
Name 2,6-Pyridinedicarboxylic acid, dodecyl isobutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-4-5-6-7-8-9-10-11-12-13-17-27-22(25)20-15-14-16-21(24-20)23(26)28-18-19(2)3/h14-16,19H,4-13,17-18H2,1-3H3
InChIKey LBZUIRAXRCQLIS-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES CCCCCCCCCCCCOC(C=1N=C(C(OCC(C)C)=O)C=CC1)=O