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2-{2-[4-tert-Butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-1-phenylpropyliden}-malonic acid dinitrile
SpectraBase Compound ID HekPsJEw7B1
InChI InChI=1S/C26H22F3N3S/c1-17(23(19(14-30)15-31)18-9-6-5-7-10-18)24-32(22(16-33-24)25(2,3)4)21-12-8-11-20(13-21)26(27,28)29/h5-13,16H,1-4H3/b24-17-
InChIKey BMCUUCIOVNISKA-ULJHMMPZSA-N
Mol Weight 465.54 g/mol
Molecular Formula C26H22F3N3S
Exact Mass 465.148653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcxHVzmWxax
Name 2-{2-[4-tert-Butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-1-phenylpropyliden}-malonic acid dinitrile
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Formula C26H22F3N3S
InChI InChI=1S/C26H22F3N3S/c1-17(23(19(14-30)15-31)18-9-6-5-7-10-18)24-32(22(16-33-24)25(2,3)4)21-12-8-11-20(13-21)26(27,28)29/h5-13,16H,1-4H3/b24-17-
InChIKey BMCUUCIOVNISKA-ULJHMMPZSA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_6_554
Molecular Weight 465.538 g/mol
SMILES c1ccc(cc1C(F)(F)F)N1C(=CS\C1=C\(C(=C(C#N)C#N)c1ccccc1)C)C(C)(C)C
SPLASH splash10-014i-1100900000-f95336143665a260caca
Source of Spectrum JF-342-560-10c
Synonyms (Z)-2-(2-(4-(tert-butyl)-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)-1-phenylpropylidene)malononitrile
Wiley ID 1767030