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1-Benzyl-5-chloro-3-[2-(2-phenylethynyl)anilino]pyrazin-2-one
SpectraBase Compound ID ECXfdm6Wyk2
InChI InChI=1S/C25H18ClN3O/c26-23-18-29(17-20-11-5-2-6-12-20)25(30)24(28-23)27-22-14-8-7-13-21(22)16-15-19-9-3-1-4-10-19/h1-14,18H,17H2,(H,27,28)
InChIKey NYRMJYXLPZLVQK-UHFFFAOYSA-N
Mol Weight 411.89 g/mol
Molecular Formula C25H18ClN3O
Exact Mass 411.11384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bcr3RiFoeFx
Name 1-Benzyl-5-chloro-3-[2-(2-phenylethynyl)anilino]pyrazin-2-one
Alternate Name(s) 5-Chloranyl-3-[[2-(2-phenylethynyl)phenyl]amino]-1-(phenylmethyl)pyrazin-2-one 5-Chloro-3-[2-(2-phenylethynyl)anilino]-1-(phenylmethyl)-2-pyrazinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18ClN3O
InChI InChI=1S/C25H18ClN3O/c26-23-18-29(17-20-11-5-2-6-12-20)25(30)24(28-23)27-22-14-8-7-13-21(22)16-15-19-9-3-1-4-10-19/h1-14,18H,17H2,(H,27,28)
InChIKey NYRMJYXLPZLVQK-UHFFFAOYSA-N
Molecular Weight 411.892 g/mol
SMILES N(C1=NC(Cl)=CN(C1=O)Cc1ccccc1)c1c(C#Cc2ccccc2)cccc1
SPLASH splash10-03fu-8024900000-ec3c7c5e218fbec94d57
Source of Spectrum F-54-13219-3
Wiley ID 809403