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1-[3-Fluoro-4'-methyl-(1,1'-biphenyl)-2-yl]-1H-pyrazole
SpectraBase Compound ID 4XTw0R2gUbN
InChI InChI=1S/C16H13FN2/c1-12-6-8-13(9-7-12)14-4-2-5-15(17)16(14)19-11-3-10-18-19/h2-11H,1H3
InChIKey CQPHNMMSKPYDOM-UHFFFAOYSA-N
Mol Weight 252.29 g/mol
Molecular Formula C16H13FN2
Exact Mass 252.106277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcZ2bNb0dxd
Name 1-[3-Fluoro-4'-methyl-(1,1'-biphenyl)-2-yl]-1H-pyrazole
Appearance Brown oil
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Exact Mass 252.106276590 u
Formula C16H13FN2
InChI InChI=1S/C16H13FN2/c1-12-6-8-13(9-7-12)14-4-2-5-15(17)16(14)19-11-3-10-18-19/h2-11H,1H3
InChIKey CQPHNMMSKPYDOM-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701231
Molecular Weight 252.292 g/mol
Reported Formula C16H13N2F
SMILES C1(=C(C(=CC=C1)C1=CC=C(C=C1)C)N1C=CC=N1)F
SPLASH splash10-0udi-0090000000-2ffb1ab4eea7b0e39401
Source of Spectrum ACI-56-SM25-3ec (DOI: 10.1002/anie.201701231)
Wiley ID 1895826