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2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl nonyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl nonyl ester
SpectraBase Compound ID 4Le1VxhcHa9
InChI InChI=1S/C23H37NO4/c1-5-7-8-9-10-11-12-17-27-22(25)19-15-13-16-20(24-19)23(26)28-21(14-6-2)18(3)4/h13,15-16,18,21H,5-12,14,17H2,1-4H3
InChIKey ORFOIACOEPDQPA-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 HheOifyK9Ae
Name 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 391.272258671 u
Formula C23H37NO4
InChI InChI=1S/C23H37NO4/c1-5-7-8-9-10-11-12-17-27-22(25)19-15-13-16-20(24-19)23(26)28-21(14-6-2)18(3)4/h13,15-16,18,21H,5-12,14,17H2,1-4H3
InChIKey ORFOIACOEPDQPA-UHFFFAOYSA-N
Molecular Weight 391.552 g/mol
SMILES CCCC(C(C)C)OC(C=1N=C(C(OCCCCCCCCC)=O)C=CC1)=O