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N-(3-chloro-2-methylphenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide

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N-(3-chloro-2-methylphenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide
SpectraBase Compound ID CYHcCLl001
InChI InChI=1S/C16H18ClN3O2/c1-10-9-11(2)20(19-10)16(22)8-7-15(21)18-14-6-4-5-13(17)12(14)3/h4-6,9H,7-8H2,1-3H3,(H,18,21)
InChIKey FRTIWBWUAWBCCT-UHFFFAOYSA-N
Mol Weight 319.79 g/mol
Molecular Formula C16H18ClN3O2
Exact Mass 319.108755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbFpPAaIsq5
Name N-(3-Chloro-2-methylphenyl)-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide
Comments Computed using HOSE algorithm
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Exact Mass 319.108754530 u
Formula C16H18ClN3O2
InChI InChI=1S/C16H18ClN3O2/c1-10-9-11(2)20(19-10)16(22)8-7-15(21)18-14-6-4-5-13(17)12(14)3/h4-6,9H,7-8H2,1-3H3,(H,18,21)
InChIKey FRTIWBWUAWBCCT-UHFFFAOYSA-N
Molecular Weight 319.792 g/mol
SMILES N(C1=C(C(=CC=C1)Cl)C)C(CCC(N1N=C(C=C1C)C)=O)=O