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5-Phenyl-3-trifluoromethyl-2-methyl-pent-2-en-4-ynenitrile
SpectraBase Compound ID DMIIEipLy4v
InChI InChI=1S/C13H8F3N/c1-10(9-17)12(13(14,15)16)8-7-11-5-3-2-4-6-11/h2-6H,1H3/b12-10-
InChIKey ZOVXDQBECOOWPK-BENRWUELSA-N
Mol Weight 235.21 g/mol
Molecular Formula C13H8F3N
Exact Mass 235.060884 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDiuSHMuj1o
Name 5-Phenyl-3-trifluoromethyl-2-methyl-pent-2-en-4-ynenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8F3N
InChI InChI=1S/C13H8F3N/c1-10(9-17)12(13(14,15)16)8-7-11-5-3-2-4-6-11/h2-6H,1H3/b12-10-
InChIKey ZOVXDQBECOOWPK-BENRWUELSA-N
Literature Reference DOI 10.1002/cjoc.20020201137
Molecular Weight 235.209 g/mol
SMILES C(\C(=C\(C#Cc1ccccc1)C(F)(F)F)C)#N
SPLASH splash10-00kr-0590000000-41ab461759917d93ccc8
Source of Spectrum CJC-20-1376-5a
Synonyms (Z)-2-methyl-5-phenyl-3-(trifluoromethyl)pent-2-en-4-ynenitrile
Wiley ID 1774807