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2-{2-[4-tert-Butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-1-ethoxyethylidene}malonic acid dinitrile
SpectraBase Compound ID HyRqpZZrNK1
InChI InChI=1S/C21H20F3N3OS/c1-5-28-17(14(11-25)12-26)10-19-27(18(13-29-19)20(2,3)4)16-8-6-7-15(9-16)21(22,23)24/h6-10,13H,5H2,1-4H3/b19-10-
InChIKey VXUHJDNKRJDFHQ-GRSHGNNSSA-N
Mol Weight 419.47 g/mol
Molecular Formula C21H20F3N3OS
Exact Mass 419.127918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bs3H2rp8i
Name 2-{2-[4-tert-Butyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-1-ethoxyethylidene}malonic acid dinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20F3N3OS
InChI InChI=1S/C21H20F3N3OS/c1-5-28-17(14(11-25)12-26)10-19-27(18(13-29-19)20(2,3)4)16-8-6-7-15(9-16)21(22,23)24/h6-10,13H,5H2,1-4H3/b19-10-
InChIKey VXUHJDNKRJDFHQ-GRSHGNNSSA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_6_554
Molecular Weight 419.466 g/mol
SMILES c1c(cc(cc1)N1C(=CS\C1=C\C(=C(C#N)C#N)OCC)C(C)(C)C)C(F)(F)F
SPLASH splash10-016s-0137900000-01895fd75e6d769a4455
Source of Spectrum JF-342-560-10d
Synonyms (Z)-2-(2-(4-(tert-butyl)-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)-1-ethoxyethylidene)malononitrile
Wiley ID 1767031