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2-{2-[4-tert-Butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-1-(4-chlorophenyl)ethyliden}malonic acid dinitrile
SpectraBase Compound ID JYABBUuKyDN
InChI InChI=1S/C25H19ClF3N3S/c1-24(2,3)22-15-33-23(32(22)20-6-4-5-18(11-20)25(27,28)29)12-21(17(13-30)14-31)16-7-9-19(26)10-8-16/h4-12,15H,1-3H3/b23-12-
InChIKey KAVZTJHNTHIJOW-FMCGGJTJSA-N
Mol Weight 485.96 g/mol
Molecular Formula C25H19ClF3N3S
Exact Mass 485.094031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BBwYLtDo6B
Name 2-{2-[4-tert-Butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-1-(4-chlorophenyl)ethyliden}malonic acid dinitrile
Alternate Name(s) (Z)-2-(2-(4-(tert-butyl)-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)-1-(4-chlorophenyl)ethylidene)malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H19ClF3N3S
InChI InChI=1S/C25H19ClF3N3S/c1-24(2,3)22-15-33-23(32(22)20-6-4-5-18(11-20)25(27,28)29)12-21(17(13-30)14-31)16-7-9-19(26)10-8-16/h4-12,15H,1-3H3/b23-12-
InChIKey KAVZTJHNTHIJOW-FMCGGJTJSA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_6_554
Molecular Weight 485.956 g/mol
SMILES c1ccc(cc1C(F)(F)F)N1C(=CS\C1=C\C(=C(C#N)C#N)c1ccc(cc1)Cl)C(C)(C)C
SPLASH splash10-000i-0000900000-f87b4c53b9c988e67b2a
Source of Spectrum JF-342-559-10a
Wiley ID 1767028