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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, isobutyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID 9v6LTQ18REr
InChI InChI=1S/C19H29NO4/c1-13(2)11-23-17(21)15-8-7-9-16(20-15)18(22)24-12-14(3)10-19(4,5)6/h7-9,13-14H,10-12H2,1-6H3
InChIKey MBVJGYCPMYKJAT-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 4gy4updih5x
Name 2,6-Pyridinedicarboxylic acid, isobutyl 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/c1-13(2)11-23-17(21)15-8-7-9-16(20-15)18(22)24-12-14(3)10-19(4,5)6/h7-9,13-14H,10-12H2,1-6H3
InChIKey MBVJGYCPMYKJAT-UHFFFAOYSA-N
Molecular Weight 335.444 g/mol
SMILES CC(C)COC(C=1N=C(C(OCC(CC(C)(C)C)C)=O)C=CC1)=O