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6,6,6,5,5,4,4-Heptafluoro-3-phenyl-2-methyl-hex-2-enenitrile
SpectraBase Compound ID BRBTI6tKIeO
InChI InChI=1S/C13H8F7N/c1-8(7-21)10(9-5-3-2-4-6-9)11(14,15)12(16,17)13(18,19)20/h2-6H,1H3/b10-8-
InChIKey NOOLOUKLRZEAPF-NTMALXAHSA-N
Mol Weight 311.2 g/mol
Molecular Formula C13H8F7N
Exact Mass 311.054496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACDHtxqlSCZ
Name 6,6,6,5,5,4,4-Heptafluoro-3-phenyl-2-methyl-hex-2-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8F7N
InChI InChI=1S/C13H8F7N/c1-8(7-21)10(9-5-3-2-4-6-9)11(14,15)12(16,17)13(18,19)20/h2-6H,1H3/b10-8-
InChIKey NOOLOUKLRZEAPF-NTMALXAHSA-N
Literature Reference DOI 10.1002/cjoc.20020201137
Molecular Weight 311.203 g/mol
SMILES C(F)(F)(C(F)(F)\C(=C/(C#N)C)c1ccccc1)C(F)(F)F
SPLASH splash10-03dl-0907000000-3a5ca80547c3361d415f
Source of Spectrum CJC-20-1377-5h
Synonyms (Z)-4,4,5,5,6,6,6-heptafluoro-2-methyl-3-phenylhex-2-enenitrile
Wiley ID 1774812