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5-(2-(2-Hydroxyethoxy)-2-phenyl-1-N-phenylthiocarbamoylethenyl)-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
SpectraBase Compound ID BCYuMpQuuph
InChI InChI=1S/C23H17N5O3S/c24-13-17-18(14-25)28-22(30)20(27-17)19(23(32)26-16-9-5-2-6-10-16)21(31-12-11-29)15-7-3-1-4-8-15/h1-10,29H,11-12H2,(H,26,32)(H,28,30)
InChIKey VWUAOBSXSZZPLB-UHFFFAOYSA-N
Mol Weight 443.48 g/mol
Molecular Formula C23H17N5O3S
Exact Mass 443.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxrCZoeUhaf
Name 5-(2-(2-Hydroxyethoxy)-2-phenyl-1-N-phenylthiocarbamoylethenyl)-6-oxo-1,6-dihydropyrazine-2,3-dicarbonitrile
Appearance Orange crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17N5O3S
InChI InChI=1S/C23H17N5O3S/c24-13-17-18(14-25)28-22(30)20(27-17)19(23(32)26-16-9-5-2-6-10-16)21(31-12-11-29)15-7-3-1-4-8-15/h1-10,29H,11-12H2,(H,26,32)(H,28,30)
InChIKey VWUAOBSXSZZPLB-UHFFFAOYSA-N
Instrument Name Agilent HP 5973
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3761
Molecular Weight 443.481 g/mol
SMILES N1C(=C(N=C(C(C(Nc2ccccc2)=S)=C(OCCO)c2ccccc2)C1=O)C#N)C#N
SPLASH splash10-0006-9100000000-b7247a9e7f7a8875d60d
Source of Spectrum Y-57-SM19-3f
Wiley ID 1859985