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1-Benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]pyrazin-2-one
SpectraBase Compound ID 2dUC3d25GZX
InChI InChI=1S/C20H16ClN3O2/c21-18-14-24(13-15-7-2-1-3-8-15)20(26)19(23-18)22-17-11-5-4-9-16(17)10-6-12-25/h1-5,7-9,11,14,25H,12-13H2,(H,22,23)
InChIKey WVZZXFRXUFZSAL-UHFFFAOYSA-N
Mol Weight 365.82 g/mol
Molecular Formula C20H16ClN3O2
Exact Mass 365.093104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1npQQ1rojg
Name 1-Benzyl-5-chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]pyrazin-2-one
Alternate Name(s) 5-Chloranyl-3-[[2-(3-oxidanylprop-1-ynyl)phenyl]amino]-1-(phenylmethyl)pyrazin-2-one 5-Chloro-3-[2-(3-hydroxyprop-1-ynyl)anilino]-1-(phenylmethyl)-2-pyrazinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16ClN3O2
InChI InChI=1S/C20H16ClN3O2/c21-18-14-24(13-15-7-2-1-3-8-15)20(26)19(23-18)22-17-11-5-4-9-16(17)10-6-12-25/h1-5,7-9,11,14,25H,12-13H2,(H,22,23)
InChIKey WVZZXFRXUFZSAL-UHFFFAOYSA-N
Molecular Weight 365.820 g/mol
SMILES N(C1=NC(Cl)=CN(C1=O)Cc1ccccc1)c1c(C#CCO)cccc1
SPLASH splash10-014l-5009000000-702b4f6be2cb78573c46
Source of Spectrum F-54-13219-3
Wiley ID 809402