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

View entire compound with spectra: 1 NMR

2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2,4,4-trimethylpentyl ester
SpectraBase Compound ID DSbT94A3b1R
InChI InChI=1S/C22H35NO4/c1-8-10-19(15(2)3)27-21(25)18-12-9-11-17(23-18)20(24)26-14-16(4)13-22(5,6)7/h9,11-12,15-16,19H,8,10,13-14H2,1-7H3
InChIKey BNGFULGSXWTPID-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 6vkmkncwWjW
Name 2,6-Pyridinedicarboxylic acid, 2-methylhex-3-yl 2,4,4-trimethylpentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-8-10-19(15(2)3)27-21(25)18-12-9-11-17(23-18)20(24)26-14-16(4)13-22(5,6)7/h9,11-12,15-16,19H,8,10,13-14H2,1-7H3
InChIKey BNGFULGSXWTPID-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES CCCC(C(C)C)OC(C=1N=C(C(OCC(CC(C)(C)C)C)=O)C=CC1)=O