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2,2,2-tris(fluoranyl)-N-[2-(2-phenylethynyl)phenyl]ethanamide
SpectraBase Compound ID C5jkhBQBeFJ
InChI InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)
InChIKey NGYWXNYZKOIHBQ-UHFFFAOYSA-N
Mol Weight 289.26 g/mol
Molecular Formula C16H10F3NO
Exact Mass 289.071448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUhMZRSS4j
Name 2,2,2-tris(fluoranyl)-N-[2-(2-phenylethynyl)phenyl]ethanamide
Appearance Off-white solid
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Formula C16H10F3NO
InChI InChI=1S/C16H10F3NO/c17-16(18,19)15(21)20-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-9H,(H,20,21)
InChIKey NGYWXNYZKOIHBQ-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201132
Molecular Weight 289.257 g/mol
Quality 597
Reported Formula C16H10F3NO
SMILES N(C(=O)C(F)(F)F)C1=C(C=CC=C1)C#CC1=CC=CC=C1
SPLASH splash10-000i-3590000000-8eaa09771ed4b5110261
Source of Spectrum K1-26-SM25-13j (DOI: 10.1002/ejoc.202201132)
Thin-Layer Chromatography 0.33 (cHex/EtOAc, 10:1)
Wiley ID 1910471