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3-METHYLTHIO-6-OXO-1,4-DIPHENYL-5,6-DIHYDROPYRIDAZIN-5-CARBONITRIL
SpectraBase Compound ID K5B27SYT6P5
InChI InChI=1S/C18H13N3OS/c1-23-17-16(13-8-4-2-5-9-13)15(12-19)18(22)21(20-17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey ZTKNITSKABOQOH-UHFFFAOYSA-N
Mol Weight 319.38 g/mol
Molecular Formula C18H13N3OS
Exact Mass 319.077933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fe5F31JuFj0
Name 3-METHYLTHIO-6-OXO-1,4-DIPHENYL-5,6-DIHYDROPYRIDAZIN-5-CARBONITRIL
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13N3OS
InChI InChI=1S/C18H13N3OS/c1-23-17-16(13-8-4-2-5-9-13)15(12-19)18(22)21(20-17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey ZTKNITSKABOQOH-UHFFFAOYSA-N
Literature Reference Author K.GEWALD,M.GRUNER,U.HAIN,G.SUEPTITZ
Literature Reference Citation MH.CHEM.,119,985(1988)
Literature Reference DOI 10.1007/BF00810107
Molecular Weight 319.381 g/mol
Solvent DMSO-D6
Source File Reference UWRU9206