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2,6-Pyridinedicarboxylic acid, decyl 3-methylbutyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, decyl 3-methylbutyl ester
SpectraBase Compound ID 1k1Jyuwdk1e
InChI InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-16-26-21(24)19-13-12-14-20(23-19)22(25)27-17-15-18(2)3/h12-14,18H,4-11,15-17H2,1-3H3
InChIKey MQUAVTUWAVFJON-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 6wY8JDhk16W
Name 2,6-Pyridinedicarboxylic acid, decyl 3-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-16-26-21(24)19-13-12-14-20(23-19)22(25)27-17-15-18(2)3/h12-14,18H,4-11,15-17H2,1-3H3
InChIKey MQUAVTUWAVFJON-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES CC(CCOC(C1=NC(C(OCCCCCCCCCC)=O)=CC=C1)=O)C