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5-(2-(2',2',2'-trifluoroethoxy)-2-phenyl-1-N-phenylthiocarbamoylethenyl)-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
SpectraBase Compound ID 7EgeOlve8iq
InChI InChI=1S/C23H14F3N5O2S/c24-23(25,26)13-33-20(14-7-3-1-4-8-14)18(22(34)29-15-9-5-2-6-10-15)19-21(32)31-17(12-28)16(11-27)30-19/h1-10H,13H2,(H,29,34)(H,31,32)
InChIKey QEVGRZRHKWGVLX-UHFFFAOYSA-N
Mol Weight 481.45 g/mol
Molecular Formula C23H14F3N5O2S
Exact Mass 481.08203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYuxFJfNAkR
Name 5-(2-(2',2',2'-trifluoroethoxy)-2-phenyl-1-N-phenylthiocarbamoylethenyl)-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
Appearance Orange powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14F3N5O2S
InChI InChI=1S/C23H14F3N5O2S/c24-23(25,26)13-33-20(14-7-3-1-4-8-14)18(22(34)29-15-9-5-2-6-10-15)19-21(32)31-17(12-28)16(11-27)30-19/h1-10H,13H2,(H,29,34)(H,31,32)
InChIKey QEVGRZRHKWGVLX-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3761
Molecular Weight 481.453 g/mol
SMILES N1C(=C(N=C(C(C(Nc2ccccc2)=S)=C(OCC(F)(F)F)c2ccccc2)C1=O)C#N)C#N
SPLASH splash10-004i-9622400000-0439ce78616d85da0de2
Source of Spectrum Y-57-SM4-3a
Wiley ID 1859980