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2,4-Dimethyl-3-{[methyl(alpha-methylphenethyl)amino]methyl}-1-phenyl-3-pyrazolin-5-one
SpectraBase Compound ID AEp6Hc7VyUE
InChI InChI=1S/C22H27N3O/c1-17(15-19-11-7-5-8-12-19)23(3)16-21-18(2)22(26)25(24(21)4)20-13-9-6-10-14-20/h5-14,17H,15-16H2,1-4H3
InChIKey AMHIMMDFGJIJBH-UHFFFAOYSA-N
Mol Weight 349.48 g/mol
Molecular Formula C22H27N3O
Exact Mass 349.215413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AmGVLWPiUDc
Name 2,4-Dimethyl-3-{[methyl(alpha-methylphenethyl)amino]methyl}-1-phenyl-3-pyrazolin-5-one
Comments Computed using HOSE algorithm
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Exact Mass 349.215412500 u
Formula C22H27N3O
InChI InChI=1S/C22H27N3O/c1-17(15-19-11-7-5-8-12-19)23(3)16-21-18(2)22(26)25(24(21)4)20-13-9-6-10-14-20/h5-14,17H,15-16H2,1-4H3
InChIKey AMHIMMDFGJIJBH-UHFFFAOYSA-N
Molecular Weight 349.478 g/mol
SMILES C=1C(=CC=CC1)CC(N(CC1=C(C(N(N1C)C=1C=CC=CC1)=O)C)C)C