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2'-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluidino)nicotinanilide

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

2'-Chloro-2-(alpha,alpha,alpha-trifluoro-m-toluidino)nicotinanilide
SpectraBase Compound ID F9ok6DlmRqe
InChI InChI=1S/C19H13ClF3N3O/c20-15-8-1-2-9-16(15)26-18(27)14-7-4-10-24-17(14)25-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKey IYYIQYOUTFCVTQ-UHFFFAOYSA-N
Mol Weight 391.78 g/mol
Molecular Formula C19H13ClF3N3O
Exact Mass 391.069924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8x8r6xDsdaW
Name 2'-Chloro-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 391.069924239 u
Formula C19H13ClF3N3O
InChI InChI=1S/C19H13ClF3N3O/c20-15-8-1-2-9-16(15)26-18(27)14-7-4-10-24-17(14)25-13-6-3-5-12(11-13)19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKey IYYIQYOUTFCVTQ-UHFFFAOYSA-N
Molecular Weight 391.781 g/mol
SMILES N(C1=CC=CC(=C1)C(F)(F)F)C1=C(C(NC=2C=CC=CC2Cl)=O)C=CC=N1