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3',5'-Dichloro-2-(alpha,alpha,alpha-trifluoro-m-toluidino)nicotinanilide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

3',5'-Dichloro-2-(alpha,alpha,alpha-trifluoro-m-toluidino)nicotinanilide
SpectraBase Compound ID IijkmdK7xCk
InChI InChI=1S/C19H12Cl2F3N3O/c20-12-8-13(21)10-15(9-12)27-18(28)16-5-2-6-25-17(16)26-14-4-1-3-11(7-14)19(22,23)24/h1-10H,(H,25,26)(H,27,28)
InChIKey UBJIRUXYPUHZRE-UHFFFAOYSA-N
Mol Weight 426.23 g/mol
Molecular Formula C19H12Cl2F3N3O
Exact Mass 425.030952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aqBUZYf5Lh
Name 3',5'-Dichloro-2-(alpha,alpha,alpha-trifluoro-m-toluidino)nicotinanilide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.030951906 u
Formula C19H12Cl2F3N3O
InChI InChI=1S/C19H12Cl2F3N3O/c20-12-8-13(21)10-15(9-12)27-18(28)16-5-2-6-25-17(16)26-14-4-1-3-11(7-14)19(22,23)24/h1-10H,(H,25,26)(H,27,28)
InChIKey UBJIRUXYPUHZRE-UHFFFAOYSA-N
Molecular Weight 426.226 g/mol
SMILES N(C1=CC=CC(=C1)C(F)(F)F)C1=C(C(NC=2C=C(C=C(C2)Cl)Cl)=O)C=CC=N1