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

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

3'-Nitro-2-(alpha,alpha,alpha-trifluoro-m-toluidino)nicotinanilide
SpectraBase Compound ID AGgu5456RsI
InChI InChI=1S/C19H13F3N4O3/c20-19(21,22)12-4-1-5-13(10-12)24-17-16(8-3-9-23-17)18(27)25-14-6-2-7-15(11-14)26(28)29/h1-11H,(H,23,24)(H,25,27)
InChIKey XEKWVYAQKKFCDF-UHFFFAOYSA-N
Mol Weight 402.33 g/mol
Molecular Formula C19H13F3N4O3
Exact Mass 402.093975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RKWklq4Vey
Name 3'-Nitro-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 402.093974781 u
Formula C19H13F3N4O3
InChI InChI=1S/C19H13F3N4O3/c20-19(21,22)12-4-1-5-13(10-12)24-17-16(8-3-9-23-17)18(27)25-14-6-2-7-15(11-14)26(28)29/h1-11H,(H,23,24)(H,25,27)
InChIKey XEKWVYAQKKFCDF-UHFFFAOYSA-N
Molecular Weight 402.333 g/mol
SMILES N(C1=CC(=CC=C1)N(=O)=O)C(C1=C(N=CC=C1)NC=1C=C(C=CC1)C(F)(F)F)=O