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(E)-3-(4-Cyanophenyl)-1-(4-fluorophenyl)propene
SpectraBase Compound ID 9l6QHvWcoe0
InChI InChI=1S/C16H12FN/c17-16-10-8-14(9-11-16)3-1-2-13-4-6-15(12-18)7-5-13/h1,3-11H,2H2/b3-1+
InChIKey FTJWHPXQZGAHTO-HNQUOIGGSA-N
Mol Weight 237.28 g/mol
Molecular Formula C16H12FN
Exact Mass 237.095378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fFJmUNUIr3
Name (E)-3-(4-Cyanophenyl)-1-(4-fluorophenyl)propene
Appearance Clear oil
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Formula C16H12FN
InChI InChI=1S/C16H12FN/c17-16-10-8-14(9-11-16)3-1-2-13-4-6-15(12-18)7-5-13/h1,3-11H,2H2/b3-1+
InChIKey FTJWHPXQZGAHTO-HNQUOIGGSA-N
Instrument Name GCMS
Ionization Type EI positive ion
Literature Reference DOI 10.1021/acs.orglett.1c00812
Molecular Weight 237.277 g/mol
Reported Formula C16H12FN
SMILES c1cc(ccc1C#N)C\C=C\c1ccc(cc1)F
SPLASH splash10-000i-0090000000-a73caef37a35ca11e0da
Source of Spectrum A1-23-SM128-(E)-17l
Wiley ID 1868191