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2,6-Pyridinedicarboxylic acid, 2-ethylbutyl tetradecyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-ethylbutyl tetradecyl ester
SpectraBase Compound ID Y2CuC8GS8j
InChI InChI=1S/C27H45NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-31-26(29)24-19-18-20-25(28-24)27(30)32-22-23(5-2)6-3/h18-20,23H,4-17,21-22H2,1-3H3
InChIKey KKJURDPWQIZOCC-UHFFFAOYSA-N
Mol Weight 447.7 g/mol
Molecular Formula C27H45NO4
Exact Mass 447.334859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9xh3SntLDym
Name 2,6-Pyridinedicarboxylic acid, 2-ethylbutyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 447.334858929 u
Formula C27H45NO4
InChI InChI=1S/C27H45NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-31-26(29)24-19-18-20-25(28-24)27(30)32-22-23(5-2)6-3/h18-20,23H,4-17,21-22H2,1-3H3
InChIKey KKJURDPWQIZOCC-UHFFFAOYSA-N
Molecular Weight 447.660 g/mol
SMILES CCCCCCCCCCCCCCOC(C=1N=C(C(OCC(CC)CC)=O)C=CC1)=O