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2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 4-octyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 4-octyl ester
SpectraBase Compound ID 2MHyqSbozIH
InChI InChI=1S/C22H35NO4/c1-6-9-13-17(11-7-2)26-21(24)18-14-10-15-19(23-18)22(25)27-20(12-8-3)16(4)5/h10,14-17,20H,6-9,11-13H2,1-5H3
InChIKey PCWBBNHIIAYXCP-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 DRqtHd0E52h
Name 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 4-octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-6-9-13-17(11-7-2)26-21(24)18-14-10-15-19(23-18)22(25)27-20(12-8-3)16(4)5/h10,14-17,20H,6-9,11-13H2,1-5H3
InChIKey PCWBBNHIIAYXCP-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES CCCC(OC(C1=NC(C(OC(C(C)C)CCC)=O)=CC=C1)=O)CCCC