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(4-Nitrophenyl)-[4-phenylsulfanylmethyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]acetonitrile
SpectraBase Compound ID JY9G7Nuv9dO
InChI InChI=1S/C25H16F3N3O2S2/c26-25(27,28)18-5-4-6-20(13-18)30-21(15-34-22-7-2-1-3-8-22)16-35-24(30)23(14-29)17-9-11-19(12-10-17)31(32)33/h1-13,16H,15H2/b24-23-
InChIKey BLQADHUMQQTYQH-VHXPQNKSSA-N
Mol Weight 511.54 g/mol
Molecular Formula C25H16F3N3O2S2
Exact Mass 511.063604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID yIbhtMSJ6N
Name (4-Nitrophenyl)-[4-phenylsulfanylmethyl-3-(3-trifluoromethylphenyl)-2,3-dihydrothiazol-2-ylidene]acetonitrile
Alternate Name(s) (E)-2-(4-nitrophenyl)-2-(4-((phenylthio)methyl)-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidene)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16F3N3O2S2
InChI InChI=1S/C25H16F3N3O2S2/c26-25(27,28)18-5-4-6-20(13-18)30-21(15-34-22-7-2-1-3-8-22)16-35-24(30)23(14-29)17-9-11-19(12-10-17)31(32)33/h1-13,16H,15H2/b24-23-
InChIKey BLQADHUMQQTYQH-VHXPQNKSSA-N
Literature Reference DOI 10.1002_1521-3897(200006)342_6_554
Molecular Weight 511.537 g/mol
SMILES c1ccc(cc1C(F)(F)F)N1C(=CS\C1=C\(c1ccc(cc1)[N+](=O)[O-])C#N)CSc1ccccc1
SPLASH splash10-0ik9-2403590000-5ed108fb169115b157a8
Source of Spectrum JF-342-558-6b
Wiley ID 1767045