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2,6-Pyridinedicarboxylic acid, decyl 2-methylbutyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, decyl 2-methylbutyl ester
SpectraBase Compound ID BgL3SRnwwYp
InChI InChI=1S/C22H35NO4/c1-4-6-7-8-9-10-11-12-16-26-21(24)19-14-13-15-20(23-19)22(25)27-17-18(3)5-2/h13-15,18H,4-12,16-17H2,1-3H3
InChIKey LIUXRBRHGCSNQW-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXd3bI5SDB8
Name 2,6-Pyridinedicarboxylic acid, decyl 2-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-4-6-7-8-9-10-11-12-16-26-21(24)19-14-13-15-20(23-19)22(25)27-17-18(3)5-2/h13-15,18H,4-12,16-17H2,1-3H3
InChIKey LIUXRBRHGCSNQW-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES CCCCCCCCCCOC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O