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1-{3'-Fluoro-2'-(1H-pyrazol-1-yl)-[1,1'-biphenyl]-4-yl}ethanone
SpectraBase Compound ID 7TQUl98CbXR
InChI InChI=1S/C17H13FN2O/c1-12(21)13-6-8-14(9-7-13)15-4-2-5-16(18)17(15)20-11-3-10-19-20/h2-11H,1H3
InChIKey OIOIGWVIDHXXSX-UHFFFAOYSA-N
Mol Weight 280.3 g/mol
Molecular Formula C17H13FN2O
Exact Mass 280.101191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40QnrC8arIT
Name 1-{3'-Fluoro-2'-(1H-pyrazol-1-yl)-[1,1'-biphenyl]-4-yl}ethanone
Appearance Colorless solid
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Exact Mass 280.101191209 u
Formula C17H13FN2O
InChI InChI=1S/C17H13FN2O/c1-12(21)13-6-8-14(9-7-13)15-4-2-5-16(18)17(15)20-11-3-10-19-20/h2-11H,1H3
InChIKey OIOIGWVIDHXXSX-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701231
Molecular Weight 280.302 g/mol
Reported Formula C17H13N2FO
SMILES C1(=C(C(=CC=C1)C1=CC=C(C=C1)C(C)=O)N1C=CC=N1)F
SPLASH splash10-004i-0090000000-d1c94c770c2ac29d45ce
Source of Spectrum ACI-56-SM27-3et (DOI: 10.1002/anie.201701231)
Wiley ID 1895830