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2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2-pentyl ester

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2-pentyl ester
SpectraBase Compound ID AioKok5ECgS
InChI InChI=1S/C19H29NO4/c1-6-9-14(5)23-18(21)15-11-8-12-16(20-15)19(22)24-17(10-7-2)13(3)4/h8,11-14,17H,6-7,9-10H2,1-5H3
InChIKey MFOFOGFXIFUSKF-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 Aj7WOX8FTvq
Name 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2-pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-6-9-14(5)23-18(21)15-11-8-12-16(20-15)19(22)24-17(10-7-2)13(3)4/h8,11-14,17H,6-7,9-10H2,1-5H3
InChIKey MFOFOGFXIFUSKF-UHFFFAOYSA-N
Molecular Weight 335.444 g/mol
SMILES CC(OC(C1=NC(C(OC(C(C)C)CCC)=O)=CC=C1)=O)CCC