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5-(2-(2'-Methoxyethoxy)-2-phenyl-1-N-phenylthiocarbamoylethenyl)-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
SpectraBase Compound ID 1BN7yWjPCEW
InChI InChI=1S/C24H19N5O3S/c1-31-12-13-32-22(16-8-4-2-5-9-16)20(24(33)27-17-10-6-3-7-11-17)21-23(30)29-19(15-26)18(14-25)28-21/h2-11H,12-13H2,1H3,(H,27,33)(H,29,30)
InChIKey PURTXMPSCOCRER-UHFFFAOYSA-N
Mol Weight 457.51 g/mol
Molecular Formula C24H19N5O3S
Exact Mass 457.120861 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJ1KSRNSeYV
Name 5-(2-(2'-Methoxyethoxy)-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 C24H19N5O3S
InChI InChI=1S/C24H19N5O3S/c1-31-12-13-32-22(16-8-4-2-5-9-16)20(24(33)27-17-10-6-3-7-11-17)21-23(30)29-19(15-26)18(14-25)28-21/h2-11H,12-13H2,1H3,(H,27,33)(H,29,30)
InChIKey PURTXMPSCOCRER-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3761
Molecular Weight 457.508 g/mol
SMILES N1C(=C(N=C(C(C(Nc2ccccc2)=S)=C(OCCOC)c2ccccc2)C1=O)C#N)C#N
SPLASH splash10-054p-9321100000-225d659929d72b243025
Source of Spectrum Y-57-SM10-3c
Wiley ID 1859982