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1-(benzyl)-5-chloro-3-phenyl-6-[(propargylthio)methyl]pyrazin-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GX7JKRiWDUc
Name 1-(benzyl)-5-chloro-3-phenyl-6-[(propargylthio)methyl]pyrazin-2-one
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 380.892 g/mol
Source File Reference MHKO25524