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(E)-2-(Cyclohex-2-en-1-yl)-3-(4-(trifluoromethyl)phenyl)acrylonitrile
SpectraBase Compound ID 2wbvCmIXNKe
InChI InChI=1S/C16H14F3N/c17-16(18,19)15-8-6-12(7-9-15)10-14(11-20)13-4-2-1-3-5-13/h2,4,6-10,13H,1,3,5H2/b14-10-
InChIKey RGFLVEYKOHYIFY-UVTDQMKNSA-N
Mol Weight 277.29 g/mol
Molecular Formula C16H14F3N
Exact Mass 277.107834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bfZc8RNlQ
Name (E)-2-(Cyclohex-2-en-1-yl)-3-(4-(trifluoromethyl)phenyl)acrylonitrile
Appearance White crystals
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Formula C16H14F3N
InChI InChI=1S/C16H14F3N/c17-16(18,19)15-8-6-12(7-9-15)10-14(11-20)13-4-2-1-3-5-13/h2,4,6-10,13H,1,3,5H2/b14-10-
InChIKey RGFLVEYKOHYIFY-UVTDQMKNSA-N
Instrument Name Finnigan MAT95Q/Finnigan MAT90
Ionization Type EI
Literature Reference DOI 10.1002/anie.202012085
Molecular Weight 277.290 g/mol
Reported Formula C16H14NF3
SMILES C(c1ccc(cc1)\C=C\(C#N)C1C=CCCC1)(F)(F)F
SPLASH splash10-0as0-2890000000-04e3e0d787a85c48dd3f
Sample Comments E/Z = 99:1
Source of Spectrum ACI-60-SM25-7ee
Wiley ID 1880412