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(3S,4'S,5'R)-4-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-3-(diphenylmethyleneamino)-4-oxopentanenitrile
SpectraBase Compound ID 9qIX9GD5M4Z
InChI InChI=1S/C29H28N4O2/c1-21-27(24-17-10-5-11-18-24)33(29(35)32(21)2)28(34)25(19-12-20-30)31-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25,27H,12,19H2,1-2H3/t21-,25-,27-/m0/s1
InChIKey ILLQHMJVBSFZFJ-NOOLENRPSA-N
Mol Weight 464.57 g/mol
Molecular Formula C29H28N4O2
Exact Mass 464.221226 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByguzP2ddO7
Name (3S,4'S,5'R)-4-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-3-(diphenylmethyleneamino)-4-oxopentanenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.221226156 u
Formula C29H28N4O2
InChI InChI=1S/C29H28N4O2/c1-21-27(24-17-10-5-11-18-24)33(29(35)32(21)2)28(34)25(19-12-20-30)31-26(22-13-6-3-7-14-22)23-15-8-4-9-16-23/h3-11,13-18,21,25,27H,12,19H2,1-2H3/t21-,25-,27-/m0/s1
InChIKey ILLQHMJVBSFZFJ-NOOLENRPSA-N
Molecular Weight 464.569 g/mol
SMILES C1(N([C@@]([C@@](N1C)(C)[H])(C1=CC=CC=C1)[H])C([C@@](N=C(C=1C=CC=CC1)C1=CC=CC=C1)(CCC#N)[H])=O)=O