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1-(benzyl)-5-chloro-3-phenyl-6-[(propargylthio)methyl]pyrazin-2-one
SpectraBase Compound ID FibLK9ymZRE
InChI InChI=1S/C21H17ClN2OS/c1-2-13-26-15-18-20(22)23-19(17-11-7-4-8-12-17)21(25)24(18)14-16-9-5-3-6-10-16/h1,3-12H,13-15H2
InChIKey AMMVCNIDRMIMAJ-UHFFFAOYSA-N
Mol Weight 380.89 g/mol
Molecular Formula C21H17ClN2OS
Exact Mass 380.075012 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G7smbVocwHZ
Name 1-Benzyl-5-chloro-3-phenyl-6-(prop-2-ynylsulfanylmethyl)pyrazin-2-one
Alternate Name(s) 1-Benzyl-5-chloro-3-phenyl-6-[(propargylthio)methyl]pyrazin-2-one 5-Chloranyl-3-phenyl-1-(phenylmethyl)-6-(prop-2-ynylsulfanylmethyl)pyrazin-2-one 5-Chloro-3-phenyl-1-(phenylmethyl)-6-[(prop-2-ynylthio)methyl]-2-pyrazinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClN2OS
InChI InChI=1S/C21H17ClN2OS/c1-2-13-26-15-18-20(22)23-19(17-11-7-4-8-12-17)21(25)24(18)14-16-9-5-3-6-10-16/h1,3-12H,13-15H2
InChIKey AMMVCNIDRMIMAJ-UHFFFAOYSA-N
Molecular Weight 380.893 g/mol
SMILES C=1(N(C(C(=NC1Cl)c1ccccc1)=O)Cc1ccccc1)CSCC#C
SPLASH splash10-0006-9023000000-4d84a4395b5f40099d89
Source of Spectrum KC-60-435-13
Wiley ID 1583054