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N-[1-(2,6-Dichlorobenzyl)-1,2-dihydro-2-oxo-3-pyridyl]-alpha,alpha,alpha-trifluoro-o-toluamide
SpectraBase Compound ID 1j2jTo6GAjE
InChI InChI=1S/C20H13Cl2F3N2O2/c21-15-7-3-8-16(22)13(15)11-27-10-4-9-17(19(27)29)26-18(28)12-5-1-2-6-14(12)20(23,24)25/h1-10H,11H2,(H,26,28)
InChIKey CSOQTQNBHICKDM-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 FrptFT5nqdq
Name N-[1-(2,6-Dichlorobenzyl)-1,2-dihydro-2-oxo-3-pyridyl]-alpha,alpha,alpha-trifluoro-o-toluamide
Comments Computed using HOSE algorithm
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Exact Mass 440.030617554 u
Formula C20H13Cl2F3N2O2
InChI InChI=1S/C20H13Cl2F3N2O2/c21-15-7-3-8-16(22)13(15)11-27-10-4-9-17(19(27)29)26-18(28)12-5-1-2-6-14(12)20(23,24)25/h1-10H,11H2,(H,26,28)
InChIKey CSOQTQNBHICKDM-UHFFFAOYSA-N
Molecular Weight 441.237 g/mol
SMILES N(C=1C(N(C=CC1)CC1=C(C=CC=C1Cl)Cl)=O)C(=O)C1=CC=CC=C1C(F)(F)F