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5-(2-(2',2',2'-trichloroethoxy)-2-phenyl-1-N-phenylthiocarbamoylethenyl)-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
SpectraBase Compound ID 5M69j1Itmfa
InChI InChI=1S/C23H14Cl3N5O2S/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 VSGVQLBMXWXMPA-UHFFFAOYSA-N
Mol Weight 530.82 g/mol
Molecular Formula C23H14Cl3N5O2S
Exact Mass 528.993379 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ke9gA8ofKCu
Name 5-(2-(2',2',2'-trichloroethoxy)-2-phenyl-1-N-phenylthiocarbamoylethenyl)-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14Cl3N5O2S
InChI InChI=1S/C23H14Cl3N5O2S/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 VSGVQLBMXWXMPA-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3761
Molecular Weight 530.817 g/mol
SMILES N1C(=C(N=C(C(C(Nc2ccccc2)=S)=C(OCC(Cl)(Cl)Cl)c2ccccc2)C1=O)C#N)C#N
SPLASH splash10-002f-9531110000-444782f65b4029594597
Source of Spectrum Y-57-SM7-3b
Wiley ID 1859981