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2,6-Pyridinedicarboxylic acid, di(2-methylpentyl) ester
SpectraBase Compound ID J8IO07Grz8w
InChI InChI=1S/C19H29NO4/c1-5-8-14(3)12-23-18(21)16-10-7-11-17(20-16)19(22)24-13-15(4)9-6-2/h7,10-11,14-15H,5-6,8-9,12-13H2,1-4H3
InChIKey CSJACVWNPZUZQI-UHFFFAOYSA-N
Mol Weight 335.44 g/mol
Molecular Formula C19H29NO4
Exact Mass 335.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eji5UkwmK7U
Name 2,6-Pyridinedicarboxylic acid, di(2-methylpentyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-5-8-14(3)12-23-18(21)16-10-7-11-17(20-16)19(22)24-13-15(4)9-6-2/h7,10-11,14-15H,5-6,8-9,12-13H2,1-4H3
InChIKey CSJACVWNPZUZQI-UHFFFAOYSA-N
Molecular Weight 335.444 g/mol
SMILES CCCC(C)COC(C=1N=C(C(OCC(CCC)C)=O)C=CC1)=O