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[4-Methylsulfanylmethyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-(4-nitrophenyl)acetonitrile
SpectraBase Compound ID IiB8ar9UOCR
InChI InChI=1S/C20H14F3N3O2S2/c1-29-11-17-12-30-19(18(10-24)13-5-7-15(8-6-13)26(27)28)25(17)16-4-2-3-14(9-16)20(21,22)23/h2-9,12H,11H2,1H3/b19-18-
InChIKey XHUOZOBKDWNTEE-HNENSFHCSA-N
Mol Weight 449.47 g/mol
Molecular Formula C20H14F3N3O2S2
Exact Mass 449.047954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UQvAmZUI8Y
Name [4-Methylsulfanylmethyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]-(4-nitrophenyl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14F3N3O2S2
InChI InChI=1S/C20H14F3N3O2S2/c1-29-11-17-12-30-19(18(10-24)13-5-7-15(8-6-13)26(27)28)25(17)16-4-2-3-14(9-16)20(21,22)23/h2-9,12H,11H2,1H3/b19-18-
InChIKey XHUOZOBKDWNTEE-HNENSFHCSA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_6_554
Molecular Weight 449.466 g/mol
SMILES c1ccc(cc1C(F)(F)F)N1C(=CS\C1=C\(c1ccc(cc1)[N+](=O)[O-])C#N)CSC
SPLASH splash10-0f6t-0102900000-101ba684d5e898b7d199
Source of Spectrum JF-342-558-5
Synonyms (E)-2-(4-((methylthio)methyl)-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)-2-(4-nitrophenyl)acetonitrile
Wiley ID 1767043