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3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(4-methylphenyl)-, bis(1-methylethyl) ester

View entire compound with spectra: 2 NMR

3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(4-methylphenyl)-, bis(1-methylethyl) ester
SpectraBase Compound ID 3Tim8wnTgbP
InChI InChI=1S/C22H29NO4/c1-12(2)26-21(24)18-15(6)23-16(7)19(22(25)27-13(3)4)20(18)17-10-8-14(5)9-11-17/h8-13,20,23H,1-7H3
InChIKey VAAMGVDCKKKIJU-UHFFFAOYSA-N
Mol Weight 371.48 g/mol
Molecular Formula C22H29NO4
Exact Mass 371.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAhCb41uvTU
Name 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(4-methylphenyl)-, bis(1-methylethyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.209658414 u
Formula C22H29NO4
InChI InChI=1S/C22H29NO4/c1-12(2)26-21(24)18-15(6)23-16(7)19(22(25)27-13(3)4)20(18)17-10-8-14(5)9-11-17/h8-13,20,23H,1-7H3
InChIKey VAAMGVDCKKKIJU-UHFFFAOYSA-N
Molecular Weight 371.477 g/mol
SMILES N1C(=C(C(C(=C1C)C(OC(C)C)=O)C=1C=CC(=CC1)C)C(OC(C)C)=O)C