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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, heptyl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID 6Iv12IOeCkl
InChI InChI=1S/C22H35NO4/c1-6-7-8-9-10-14-26-20(24)18-12-11-13-19(23-18)21(25)27-16-17(2)15-22(3,4)5/h11-13,17H,6-10,14-16H2,1-5H3
InChIKey NOKWCVAHSPVLBA-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 44mLTncsMs9
Name 2,6-Pyridinedicarboxylic acid, heptyl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-6-7-8-9-10-14-26-20(24)18-12-11-13-19(23-18)21(25)27-16-17(2)15-22(3,4)5/h11-13,17H,6-10,14-16H2,1-5H3
InChIKey NOKWCVAHSPVLBA-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES CCCCCCCOC(C=1N=C(C(OCC(CC(C)(C)C)C)=O)C=CC1)=O