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(2E, 4Z)-5-(p-Tolyl)-3-(trifluoromethyl)penta-2,4-dienenitrile
SpectraBase Compound ID 1cXxaqtSSml
InChI InChI=1S/C13H10F3N/c1-10-2-4-11(5-3-10)6-7-12(8-9-17)13(14,15)16/h2-8H,1H3/b7-6-,12-8+
InChIKey HKZNZJLFSYHDGA-UGLNBITBSA-N
Mol Weight 237.23 g/mol
Molecular Formula C13H10F3N
Exact Mass 237.076534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WCHW1l8HDg
Name (2E, 4Z)-5-(p-Tolyl)-3-(trifluoromethyl)penta-2,4-dienenitrile
Appearance Yellow oil
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Formula C13H10F3N
InChI InChI=1S/C13H10F3N/c1-10-2-4-11(5-3-10)6-7-12(8-9-17)13(14,15)16/h2-8H,1H3/b7-6-,12-8+
InChIKey HKZNZJLFSYHDGA-UGLNBITBSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 237.225 g/mol
Reported Formula C13H10F3N
SMILES C(\C=C/(\C=C/c1ccc(cc1)C)C(F)(F)F)#N
SPLASH splash10-0gbi-0980000000-687b685a246a756623f1
Source of Spectrum A1-23-SM112-(2E,4Z)-5f
Wiley ID 1870225