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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-ethylbutyl heptadecyl ester
SpectraBase Compound ID 9OTAHLRILuX
InChI InChI=1S/C30H51NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-34-29(32)27-22-21-23-28(31-27)30(33)35-25-26(5-2)6-3/h21-23,26H,4-20,24-25H2,1-3H3
InChIKey DPPFYEQVNOVFEO-UHFFFAOYSA-N
Mol Weight 489.7 g/mol
Molecular Formula C30H51NO4
Exact Mass 489.381809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YvORw79Gv3
Name 2,6-Pyridinedicarboxylic acid, 2-ethylbutyl heptadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 489.381809122 u
Formula C30H51NO4
InChI InChI=1S/C30H51NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-34-29(32)27-22-21-23-28(31-27)30(33)35-25-26(5-2)6-3/h21-23,26H,4-20,24-25H2,1-3H3
InChIKey DPPFYEQVNOVFEO-UHFFFAOYSA-N
Molecular Weight 489.741 g/mol
SMILES CCCCCCCCCCCCCCCCCOC(C=1N=C(C(OCC(CC)CC)=O)C=CC1)=O