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diethyl 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

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diethyl 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
SpectraBase Compound ID 8WpJgWCQ2qk
InChI InChI=1S/C28H28ClN3O4/c1-5-35-27(33)24-17(3)30-18(4)25(28(34)36-6-2)26(24)23-16-22(19-12-14-20(29)15-13-19)31-32(23)21-10-8-7-9-11-21/h7-16,26,30H,5-6H2,1-4H3
InChIKey SNUNDKBSSASBHS-UHFFFAOYSA-N
Mol Weight 506.0 g/mol
Molecular Formula C28H28ClN3O4
Exact Mass 505.176834 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lo6vVgzbL5F
Name Diethyl 4-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 505.176834090 u
Formula C28H28ClN3O4
InChI InChI=1S/C28H28ClN3O4/c1-5-35-27(33)24-17(3)30-18(4)25(28(34)36-6-2)26(24)23-16-22(19-12-14-20(29)15-13-19)31-32(23)21-10-8-7-9-11-21/h7-16,26,30H,5-6H2,1-4H3
InChIKey SNUNDKBSSASBHS-UHFFFAOYSA-N
Molecular Weight 506.002 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OCC)C=1N(N=C(C1)C1=CC=C(C=C1)Cl)C=1C=CC=CC1)C(=O)OCC)C