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1-Benzyl-5-chloro-6-phenyl-3-(2-phenylethynylphenylamino)-2(1H)-pyrazinone
SpectraBase Compound ID G849KMsXbeh
InChI InChI=1S/C31H22ClN3O/c32-29-28(26-17-8-3-9-18-26)35(22-24-14-6-2-7-15-24)31(36)30(34-29)33-27-19-11-10-16-25(27)21-20-23-12-4-1-5-13-23/h1-19H,22H2,(H,33,34)
InChIKey MACMCXZXXDNWTB-UHFFFAOYSA-N
Mol Weight 487.99 g/mol
Molecular Formula C31H22ClN3O
Exact Mass 487.14514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BjUO44SdmZP
Name 1-Benzyl-5-chloro-6-phenyl-3-(2-phenylethynylphenylamino)-2(1H)-pyrazinone
Alternate Name(s) 1-Benzyl-5-chloro-6-phenyl-3-[2-(phenylethynyl)anilino]-2(1H)-pyrazinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H22ClN3O
InChI InChI=1S/C31H22ClN3O/c32-29-28(26-17-8-3-9-18-26)35(22-24-14-6-2-7-15-24)31(36)30(34-29)33-27-19-11-10-16-25(27)21-20-23-12-4-1-5-13-23/h1-19H,22H2,(H,33,34)
InChIKey MACMCXZXXDNWTB-UHFFFAOYSA-N
Molecular Weight 487.990 g/mol
SMILES N(C=1C(N(C(=C(N1)Cl)c1ccccc1)Cc1ccccc1)=O)c1c(C#Cc2ccccc2)cccc1
SPLASH splash10-000i-1000900000-124d5a7e25c6bb406169
Source of Spectrum F-54-13220-3
Wiley ID 809400