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4,4,4-trifluoro-3-(4-methylphenyl)-2-methyl-but-2-enenitrile
SpectraBase Compound ID ESa5cNuqzD2
InChI InChI=1S/C12H10F3N/c1-8-3-5-10(6-4-8)11(9(2)7-16)12(13,14)15/h3-6H,1-2H3/b11-9-
InChIKey HETJCEOQIYWGOX-LUAWRHEFSA-N
Mol Weight 225.21 g/mol
Molecular Formula C12H10F3N
Exact Mass 225.076534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lrIg3TkvwI
Name 4,4,4-trifluoro-3-(4-methylphenyl)-2-methyl-but-2-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10F3N
InChI InChI=1S/C12H10F3N/c1-8-3-5-10(6-4-8)11(9(2)7-16)12(13,14)15/h3-6H,1-2H3/b11-9-
InChIKey HETJCEOQIYWGOX-LUAWRHEFSA-N
Literature Reference DOI 10.1002/cjoc.20020201137
Molecular Weight 225.214 g/mol
SMILES C(\C(=C/(C(F)(F)F)c1ccc(cc1)C)C)#N
SPLASH splash10-004i-0690000000-d1945960bb717b9fa147
Source of Spectrum CJC-20-1376-5b
Synonyms (Z)-4,4,4-trifluoro-2-methyl-3-(p-tolyl)but-2-enenitrile
Wiley ID 1774808