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N-[4-({[2-(trifluoromethyl)anilino]carbonyl}amino)phenyl]acetamide

View entire compound with spectra: 2 NMR

N-[4-({[2-(trifluoromethyl)anilino]carbonyl}amino)phenyl]acetamide
SpectraBase Compound ID BgWCxKrdBi2
InChI InChI=1S/C16H14F3N3O2/c1-10(23)20-11-6-8-12(9-7-11)21-15(24)22-14-5-3-2-4-13(14)16(17,18)19/h2-9H,1H3,(H,20,23)(H2,21,22,24)
InChIKey CYHPKMCNJFHUMW-UHFFFAOYSA-N
Mol Weight 337.3 g/mol
Molecular Formula C16H14F3N3O2
Exact Mass 337.103811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzWuW6tC9y1
Name N-[4-({[2-(trifluoromethyl)anilino]carbonyl}amino)phenyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 337.103811190 u
Formula C16H14F3N3O2
InChI InChI=1S/C16H14F3N3O2/c1-10(23)20-11-6-8-12(9-7-11)21-15(24)22-14-5-3-2-4-13(14)16(17,18)19/h2-9H,1H3,(H,20,23)(H2,21,22,24)
InChIKey CYHPKMCNJFHUMW-UHFFFAOYSA-N
Molecular Weight 337.302 g/mol
SMILES N(C(NC=1C=CC(NC(=O)C)=CC1)=O)C1=C(C(F)(F)F)C=CC=C1