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4-(4-Ethylphenyl)-2,6-dimethyl-3,5-bis-N-(phenyl)-carbamoyl-1,4-dihydropyridine

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

4-(4-Ethylphenyl)-2,6-dimethyl-3,5-bis-N-(phenyl)-carbamoyl-1,4-dihydropyridine
SpectraBase Compound ID 2bEjWrNaXCO
InChI InChI=1S/C29H29N3O2/c1-4-21-15-17-22(18-16-21)27-25(28(33)31-23-11-7-5-8-12-23)19(2)30-20(3)26(27)29(34)32-24-13-9-6-10-14-24/h5-18,27,30H,4H2,1-3H3,(H,31,33)(H,32,34)
InChIKey WQBDRFKFIWNBNJ-UHFFFAOYSA-N
Mol Weight 451.57 g/mol
Molecular Formula C29H29N3O2
Exact Mass 451.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C4Yrc1cdfsE
Name 4-(4-Ethylphenyl)-2,6-dimethyl-3,5-bis-N-(phenyl)-carbamoyl-1,4-dihydropyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 451.225977184 u
Formula C29H29N3O2
InChI InChI=1S/C29H29N3O2/c1-4-21-15-17-22(18-16-21)27-25(28(33)31-23-11-7-5-8-12-23)19(2)30-20(3)26(27)29(34)32-24-13-9-6-10-14-24/h5-18,27,30H,4H2,1-3H3,(H,31,33)(H,32,34)
InChIKey WQBDRFKFIWNBNJ-UHFFFAOYSA-N
Molecular Weight 451.570 g/mol
SMILES C=1(C(C(=C(C)NC1C)C(NC1=CC=CC=C1)=O)C=1C=CC(=CC1)CC)C(NC=1C=CC=CC1)=O