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2-(alpha,alpha,alpha-Trifluoro-m-toluidino)-p-nicotinophenetidide

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

2-(alpha,alpha,alpha-Trifluoro-m-toluidino)-p-nicotinophenetidide
SpectraBase Compound ID 2i94bvQkFIA
InChI InChI=1S/C21H18F3N3O2/c1-2-29-17-10-8-15(9-11-17)27-20(28)18-7-4-12-25-19(18)26-16-6-3-5-14(13-16)21(22,23)24/h3-13H,2H2,1H3,(H,25,26)(H,27,28)
InChIKey FVGCYMVICRGNSM-UHFFFAOYSA-N
Mol Weight 401.39 g/mol
Molecular Formula C21H18F3N3O2
Exact Mass 401.135111 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8FbZzi2gh3Q
Name 2-(alpha,alpha,alpha-Trifluoro-m-toluidino)-p-nicotinophenetidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.135111319 u
Formula C21H18F3N3O2
InChI InChI=1S/C21H18F3N3O2/c1-2-29-17-10-8-15(9-11-17)27-20(28)18-7-4-12-25-19(18)26-16-6-3-5-14(13-16)21(22,23)24/h3-13H,2H2,1H3,(H,25,26)(H,27,28)
InChIKey FVGCYMVICRGNSM-UHFFFAOYSA-N
Molecular Weight 401.389 g/mol
SMILES N(C=1C=CC(=CC1)OCC)C(C=1C(=NC=CC1)NC1=CC(=CC=C1)C(F)(F)F)=O