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N-[2-chloro-5-(trifluoromethyl)phenyl]-1,5-dimethyl-1H-pyrazole-3-carboxamide

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N-[2-chloro-5-(trifluoromethyl)phenyl]-1,5-dimethyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 57jSmYrPUdr
InChI InChI=1S/C13H11ClF3N3O/c1-7-5-11(19-20(7)2)12(21)18-10-6-8(13(15,16)17)3-4-9(10)14/h3-6H,1-2H3,(H,18,21)
InChIKey CXHHVPPYWXNHFK-UHFFFAOYSA-N
Mol Weight 317.7 g/mol
Molecular Formula C13H11ClF3N3O
Exact Mass 317.054274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DDmAKnygBhF
Name N-[2-Chloro-5-(trifluoromethyl)phenyl]-1,5-dimethyl-1H-pyrazole-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 317.054274174 u
Formula C13H11ClF3N3O
InChI InChI=1S/C13H11ClF3N3O/c1-7-5-11(19-20(7)2)12(21)18-10-6-8(13(15,16)17)3-4-9(10)14/h3-6H,1-2H3,(H,18,21)
InChIKey CXHHVPPYWXNHFK-UHFFFAOYSA-N
Molecular Weight 317.699 g/mol
SMILES N(C(C1=NN(C)C(=C1)C)=O)C1=CC(C(F)(F)F)=CC=C1Cl