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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-methylbutyl 2-methylhex-3-yl ester
SpectraBase Compound ID BjnGykvNso2
InChI InChI=1S/C19H29NO4/c1-6-9-17(13(3)4)24-19(22)16-11-8-10-15(20-16)18(21)23-12-14(5)7-2/h8,10-11,13-14,17H,6-7,9,12H2,1-5H3
InChIKey ZVZDQMUTEUYRJO-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 3XZADYi31S6
Name 2,6-Pyridinedicarboxylic acid, 2-methylbutyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 335.209658414 u
Formula C19H29NO4
InChI InChI=1S/C19H29NO4/c1-6-9-17(13(3)4)24-19(22)16-11-8-10-15(20-16)18(21)23-12-14(5)7-2/h8,10-11,13-14,17H,6-7,9,12H2,1-5H3
InChIKey ZVZDQMUTEUYRJO-UHFFFAOYSA-N
Molecular Weight 335.444 g/mol
SMILES CCCC(C(C)C)OC(C=1N=C(C(OCC(CC)C)=O)C=CC1)=O