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3'-Fluoro-2'-(1H-pyrazol-1-yl)-[1,1'-biphenyl]-4-carbonitrile
SpectraBase Compound ID C97756gHGM5
InChI InChI=1S/C16H10FN3/c17-15-4-1-3-14(16(15)20-10-2-9-19-20)13-7-5-12(11-18)6-8-13/h1-10H
InChIKey MUTJOUSQMFLXAC-UHFFFAOYSA-N
Mol Weight 263.28 g/mol
Molecular Formula C16H10FN3
Exact Mass 263.085875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CiWNS71bihS
Name 3'-Fluoro-2'-(1H-pyrazol-1-yl)-[1,1'-biphenyl]-4-carbonitrile
Appearance Off-white solid
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Exact Mass 263.085875497 u
Formula C16H10FN3
InChI InChI=1S/C16H10FN3/c17-15-4-1-3-14(16(15)20-10-2-9-19-20)13-7-5-12(11-18)6-8-13/h1-10H
InChIKey MUTJOUSQMFLXAC-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701231
Molecular Weight 263.275 g/mol
Reported Formula C16H10N3F
SMILES C1(=C(C(=CC=C1)C1=CC=C(C=C1)C#N)N1C=CC=N1)F
SPLASH splash10-03di-0090000000-8cd4fb823086f333e9b8
Source of Spectrum ACI-56-SM27-3ef (DOI: 10.1002/anie.201701231)
Wiley ID 1895828