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(2E, 4E)-5-(4-Aminophenyl)-3-(trifluoromethyl)penta-2,4-dienenitrile
SpectraBase Compound ID DLFJc1nBwli
InChI InChI=1S/C12H9F3N2/c13-12(14,15)10(7-8-16)4-1-9-2-5-11(17)6-3-9/h1-7H,17H2/b4-1+,10-7+
InChIKey RNTRVRWKSGWSHG-XHBPJJCSSA-N
Mol Weight 238.21 g/mol
Molecular Formula C12H9F3N2
Exact Mass 238.071783 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XHv4T9tnCp
Name (2E, 4E)-5-(4-Aminophenyl)-3-(trifluoromethyl)penta-2,4-dienenitrile
Appearance Yellow oil
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Formula C12H9F3N2
InChI InChI=1S/C12H9F3N2/c13-12(14,15)10(7-8-16)4-1-9-2-5-11(17)6-3-9/h1-7H,17H2/b4-1+,10-7+
InChIKey RNTRVRWKSGWSHG-XHBPJJCSSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 238.213 g/mol
Reported Formula C12H9F3N2
SMILES Nc1ccc(\C=C\C(=C/C#N)C(F)(F)F)cc1
SPLASH splash10-000i-0490000000-21ceefe9e639919ab80a
Source of Spectrum A1-23-SM115-(2E,4E)-5h
Wiley ID 1870222