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5-(4-BROMOPHENYL)-3-IMINO-6-MERCAPTO-2-(4-METHOXYPHENYL)-2,3-DIHYDROPYRIDAZINE-4-CARBONITRILE

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5-(4-BROMOPHENYL)-3-IMINO-6-MERCAPTO-2-(4-METHOXYPHENYL)-2,3-DIHYDROPYRIDAZINE-4-CARBONITRILE
SpectraBase Compound ID FoXR5LcL3kk
InChI InChI=1S/C18H13BrN4OS/c1-24-14-8-6-13(7-9-14)23-17(21)15(10-20)16(18(25)22-23)11-2-4-12(19)5-3-11/h2-9,21H,1H3,(H,22,25)
InChIKey JHPIPLSNUXKICK-UHFFFAOYSA-N
Mol Weight 413.29 g/mol
Molecular Formula C18H13BrN4OS
Exact Mass 411.999345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LUg1Wlv3G4m
Name 5-(4-BROMOPHENYL)-3-IMINO-6-MERCAPTO-2-(4-METHOXYPHENYL)-2,3-DIHYDROPYRIDAZINE-4-CARBONITRILE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13BrN4OS
InChI InChI=1S/C18H13BrN4OS/c1-24-14-8-6-13(7-9-14)23-17(21)15(10-20)16(18(25)22-23)11-2-4-12(19)5-3-11/h2-9,21H,1H3,(H,22,25)
InChIKey JHPIPLSNUXKICK-UHFFFAOYSA-N
Literature Reference Author M.A.AL-SHEIKH
Literature Reference Citation MOLECULES,13,2750(2008)
Literature Reference DOI 10.3390/molecules13112750
Molecular Weight 413.291 g/mol
Sample ID 56830
Solvent DMSO-D6