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3-Isopropyl 5-(2-methoxyethyl) 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, N'-acetyl
SpectraBase Compound ID HcqTZ7xWCkv
InChI InChI=1S/C23H30N2O6/c1-13(2)31-23(28)20-15(4)24-14(3)19(22(27)30-11-10-29-6)21(20)17-8-7-9-18(12-17)25-16(5)26/h7-9,12-13,21,24H,10-11H2,1-6H3,(H,25,26)
InChIKey DPCBNECTACVADS-UHFFFAOYSA-N
Mol Weight 430.5 g/mol
Molecular Formula C23H30N2O6
Exact Mass 430.210387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKpQ6UIVEpE
Name 3-Isopropyl 5-(2-methoxyethyl) 4-(3-aminophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, N'-acetyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 430.210386688 u
Formula C23H30N2O6
InChI InChI=1S/C23H30N2O6/c1-13(2)31-23(28)20-15(4)24-14(3)19(22(27)30-11-10-29-6)21(20)17-8-7-9-18(12-17)25-16(5)26/h7-9,12-13,21,24H,10-11H2,1-6H3,(H,25,26)
InChIKey DPCBNECTACVADS-UHFFFAOYSA-N
Molecular Weight 430.501 g/mol
SMILES CC(C)OC(=O)C1=C(C)NC(C)=C(C(OCCOC)=O)C1C=1C=C(NC(=O)C)C=CC1