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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, isobutyl 2-methylhex-3-yl ester
SpectraBase Compound ID KoXZsE9a7Tn
InChI InChI=1S/C18H27NO4/c1-6-8-16(13(4)5)23-18(21)15-10-7-9-14(19-15)17(20)22-11-12(2)3/h7,9-10,12-13,16H,6,8,11H2,1-5H3
InChIKey HLXHNGNUNDKDDE-UHFFFAOYSA-N
Mol Weight 321.42 g/mol
Molecular Formula C18H27NO4
Exact Mass 321.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5lWFEJAEs1
Name 2,6-Pyridinedicarboxylic acid, isobutyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 321.194008349 u
Formula C18H27NO4
InChI InChI=1S/C18H27NO4/c1-6-8-16(13(4)5)23-18(21)15-10-7-9-14(19-15)17(20)22-11-12(2)3/h7,9-10,12-13,16H,6,8,11H2,1-5H3
InChIKey HLXHNGNUNDKDDE-UHFFFAOYSA-N
Molecular Weight 321.417 g/mol
SMILES CCCC(C(C)C)OC(C=1N=C(C(OCC(C)C)=O)C=CC1)=O