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2,6-Pyridinedicarboxylic acid, isobutyl 1-methoxydec-4-yl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, isobutyl 1-methoxydec-4-yl ester
SpectraBase Compound ID 7m2x6vczmdL
InChI InChI=1S/C22H35NO5/c1-5-6-7-8-11-18(12-10-15-26-4)28-22(25)20-14-9-13-19(23-20)21(24)27-16-17(2)3/h9,13-14,17-18H,5-8,10-12,15-16H2,1-4H3
InChIKey IMQZSBIXTJCISR-UHFFFAOYSA-N
Mol Weight 393.5 g/mol
Molecular Formula C22H35NO5
Exact Mass 393.251523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KmtB681oKG0
Name 2,6-Pyridinedicarboxylic acid, isobutyl 1-methoxydec-4-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.251523226 u
Formula C22H35NO5
InChI InChI=1S/C22H35NO5/c1-5-6-7-8-11-18(12-10-15-26-4)28-22(25)20-14-9-13-19(23-20)21(24)27-16-17(2)3/h9,13-14,17-18H,5-8,10-12,15-16H2,1-4H3
InChIKey IMQZSBIXTJCISR-UHFFFAOYSA-N
Molecular Weight 393.524 g/mol
SMILES CCCCCCC(OC(C1=NC(=CC=C1)C(OCC(C)C)=O)=O)CCCOC