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1,3-Cyclohexanedione, 2-[[[(1-benzoyl-4-piperidinyl)methyl]amino]methylene]-5,5-dimethyl-
SpectraBase Compound ID 3bhLpQgWSTa
InChI InChI=1S/C22H28N2O3/c1-22(2)12-19(25)18(20(26)13-22)15-23-14-16-8-10-24(11-9-16)21(27)17-6-4-3-5-7-17/h3-7,15-16,23H,8-14H2,1-2H3
InChIKey TZNDXRSIOCJVFK-UHFFFAOYSA-N
Mol Weight 368.48 g/mol
Molecular Formula C22H28N2O3
Exact Mass 368.209993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A2TPJYnIzIi
Name 1,3-Cyclohexanedione, 2-[[[(1-benzoyl-4-piperidinyl)methyl]amino]methylene]-5,5-dimethyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.209992767 u
Formula C22H28N2O3
InChI InChI=1S/C22H28N2O3/c1-22(2)12-19(25)18(20(26)13-22)15-23-14-16-8-10-24(11-9-16)21(27)17-6-4-3-5-7-17/h3-7,15-16,23H,8-14H2,1-2H3
InChIKey TZNDXRSIOCJVFK-UHFFFAOYSA-N
Molecular Weight 368.477 g/mol
SMILES N(C=C1C(CC(CC1=O)(C)C)=O)CC1CCN(C(=O)C2=CC=CC=C2)CC1