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(2E, 4Z)-5-([1,1'-Biphenyl]-4-yl)-3-(trifluoromethyl)penta-2,4-dienenitrile
SpectraBase Compound ID FlSrRo7gCq3
InChI InChI=1S/C18H12F3N/c19-18(20,21)17(12-13-22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-12H/b11-8-,17-12+
InChIKey LNKACBCYYLFXGJ-XRHVWAQQSA-N
Mol Weight 299.3 g/mol
Molecular Formula C18H12F3N
Exact Mass 299.092184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C1yD8oIn7Mb
Name (2E, 4Z)-5-([1,1'-Biphenyl]-4-yl)-3-(trifluoromethyl)penta-2,4-dienenitrile
Appearance Yellow oil
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Formula C18H12F3N
InChI InChI=1S/C18H12F3N/c19-18(20,21)17(12-13-22)11-8-14-6-9-16(10-7-14)15-4-2-1-3-5-15/h1-12H/b11-8-,17-12+
InChIKey LNKACBCYYLFXGJ-XRHVWAQQSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 299.296 g/mol
Reported Formula C18H12F3N
SMILES C(\C=C/(\C=C/c1ccc(-c2ccccc2)cc1)C(F)(F)F)#N
SPLASH splash10-0002-0091000000-4c2e3e92806129de8b73
Source of Spectrum A1-23-SM121-(2E,4Z)-5k
Wiley ID 1870226