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1-(3,4-Dichlorobenzyl)-1,6-dihydro-6-oxo-alpha,alpha,alpha-trifluoro-m-nicotinotoluidide

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1-(3,4-Dichlorobenzyl)-1,6-dihydro-6-oxo-alpha,alpha,alpha-trifluoro-m-nicotinotoluidide
SpectraBase Compound ID H0BbRAUh8mk
InChI InChI=1S/C20H13Cl2F3N2O2/c21-16-6-4-12(8-17(16)22)10-27-11-13(5-7-18(27)28)19(29)26-15-3-1-2-14(9-15)20(23,24)25/h1-9,11H,10H2,(H,26,29)
InChIKey YNJDJCPKPRJBQZ-UHFFFAOYSA-N
Mol Weight 441.24 g/mol
Molecular Formula C20H13Cl2F3N2O2
Exact Mass 440.030618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DSWe44gMrlo
Name 1-(3,4-Dichlorobenzyl)-1,6-dihydro-6-oxo-alpha,alpha,alpha-trifluoro-m-nicotinotoluidide
Comments Computed using HOSE algorithm
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Exact Mass 440.030617554 u
Formula C20H13Cl2F3N2O2
InChI InChI=1S/C20H13Cl2F3N2O2/c21-16-6-4-12(8-17(16)22)10-27-11-13(5-7-18(27)28)19(29)26-15-3-1-2-14(9-15)20(23,24)25/h1-9,11H,10H2,(H,26,29)
InChIKey YNJDJCPKPRJBQZ-UHFFFAOYSA-N
Molecular Weight 441.237 g/mol
SMILES N(C(C=1C=CC(N(C1)CC1=CC=C(C(=C1)Cl)Cl)=O)=O)C=1C=C(C=CC1)C(F)(F)F