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1-Benzyl-5-chloro-6-methyl-3-(2-phenylethynylphenylamino)-2(1H)-pyrazinone
SpectraBase Compound ID KrvQBEObQpk
InChI InChI=1S/C26H20ClN3O/c1-19-24(27)29-25(26(31)30(19)18-21-12-6-3-7-13-21)28-23-15-9-8-14-22(23)17-16-20-10-4-2-5-11-20/h2-15H,18H2,1H3,(H,28,29)
InChIKey IXDZVNWRKMHCHC-UHFFFAOYSA-N
Mol Weight 425.92 g/mol
Molecular Formula C26H20ClN3O
Exact Mass 425.12949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EeYuEEjP8MY
Name 1-Benzyl-5-chloro-6-methyl-3-(2-phenylethynylphenylamino)-2(1H)-pyrazinone
Alternate Name(s) 1-Benzyl-5-chloro-6-methyl-3-[2-(phenylethynyl)anilino]-2(1H)-pyrazinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20ClN3O
InChI InChI=1S/C26H20ClN3O/c1-19-24(27)29-25(26(31)30(19)18-21-12-6-3-7-13-21)28-23-15-9-8-14-22(23)17-16-20-10-4-2-5-11-20/h2-15H,18H2,1H3,(H,28,29)
InChIKey IXDZVNWRKMHCHC-UHFFFAOYSA-N
Molecular Weight 425.919 g/mol
SMILES N(C=1C(N(C(=C(N1)Cl)C)Cc1ccccc1)=O)c1c(C#Cc2ccccc2)cccc1
SPLASH splash10-0006-9000100000-969cfd343f37280d56a5
Source of Spectrum F-54-13219-3
Wiley ID 809406