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2'-Chloro-4'-nitro-2-(alpha,alpha,alpha-trifluoro-m-toluidino)nicotinanilide
SpectraBase Compound ID 59iTpbJSTLS
InChI InChI=1S/C19H12ClF3N4O3/c20-15-10-13(27(29)30)6-7-16(15)26-18(28)14-5-2-8-24-17(14)25-12-4-1-3-11(9-12)19(21,22)23/h1-10H,(H,24,25)(H,26,28)
InChIKey KIUROKVVDIMBEK-UHFFFAOYSA-N
Mol Weight 436.78 g/mol
Molecular Formula C19H12ClF3N4O3
Exact Mass 436.055002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9fS2fbpNCK5
Name 2'-Chloro-4'-nitro-2-(alpha,alpha,alpha-trifluoro-m-toluidino)nicotinanilide
Comments Computed using HOSE algorithm
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Exact Mass 436.055002448 u
Formula C19H12ClF3N4O3
InChI InChI=1S/C19H12ClF3N4O3/c20-15-10-13(27(29)30)6-7-16(15)26-18(28)14-5-2-8-24-17(14)25-12-4-1-3-11(9-12)19(21,22)23/h1-10H,(H,24,25)(H,26,28)
InChIKey KIUROKVVDIMBEK-UHFFFAOYSA-N
Molecular Weight 436.778 g/mol
SMILES N(C1=C(C=C(C=C1)N(=O)=O)Cl)C(C=1C(=NC=CC1)NC1=CC(=CC=C1)C(F)(F)F)=O