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bis(2-methoxyethyl) 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

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bis(2-methoxyethyl) 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
SpectraBase Compound ID 4OrD9JopRh9
InChI InChI=1S/C30H33N3O6/c1-20-25(29(34)38-17-15-36-3)27(26(21(2)31-20)30(35)39-18-16-37-4)24-19-33(23-13-9-6-10-14-23)32-28(24)22-11-7-5-8-12-22/h5-14,19,27,31H,15-18H2,1-4H3
InChIKey KJCXHWMRHBETBC-UHFFFAOYSA-N
Mol Weight 531.6 g/mol
Molecular Formula C30H33N3O6
Exact Mass 531.236936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4d09R133Wtj
Name bis(2-Methoxyethyl) 4-(1,3-diphenyl-1H-pyrazol-4-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 531.236935789 u
Formula C30H33N3O6
InChI InChI=1S/C30H33N3O6/c1-20-25(29(34)38-17-15-36-3)27(26(21(2)31-20)30(35)39-18-16-37-4)24-19-33(23-13-9-6-10-14-23)32-28(24)22-11-7-5-8-12-22/h5-14,19,27,31H,15-18H2,1-4H3
InChIKey KJCXHWMRHBETBC-UHFFFAOYSA-N
Molecular Weight 531.609 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OCCOC)C=1C(=NN(C1)C=1C=CC=CC1)C=1C=CC=CC1)C(=O)OCCOC)C