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2,6-Pyridinedicarboxylic acid, butyl 2,4,4-trimethylpentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, butyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID LgnQm1htjm2
InChI InChI=1S/C19H29NO4/c1-6-7-11-23-17(21)15-9-8-10-16(20-15)18(22)24-13-14(2)12-19(3,4)5/h8-10,14H,6-7,11-13H2,1-5H3
InChIKey VOSPWLIGKYJUAB-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 61Tj3DfkguY
Name 2,6-Pyridinedicarboxylic acid, butyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-6-7-11-23-17(21)15-9-8-10-16(20-15)18(22)24-13-14(2)12-19(3,4)5/h8-10,14H,6-7,11-13H2,1-5H3
InChIKey VOSPWLIGKYJUAB-UHFFFAOYSA-N
Molecular Weight 335.444 g/mol
SMILES CCCCOC(C=1N=C(C(OCC(CC(C)(C)C)C)=O)C=CC1)=O