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3-(4-BROMOPHENYL)-6-IMINO-2-MERCAPTO-6H-PYRIDAZINO-[1,6-A]-QUINAZOLINE-4-CARBONITRILE
SpectraBase Compound ID tDsQ3iMUGr
InChI InChI=1S/C18H10BrN5S/c19-11-7-5-10(6-8-11)15-13(9-20)17-22-16(21)12-3-1-2-4-14(12)24(17)23-18(15)25/h1-8,21H,(H,23,25)
InChIKey XJOBYQNZLLRXKZ-UHFFFAOYSA-N
Mol Weight 408.28 g/mol
Molecular Formula C18H10BrN5S
Exact Mass 406.98403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACGaoA4HEUe
Name 3-(4-BROMOPHENYL)-6-IMINO-2-MERCAPTO-6H-PYRIDAZINO-[1,6-A]-QUINAZOLINE-4-CARBONITRILE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H10BrN5S
InChI InChI=1S/C18H10BrN5S/c19-11-7-5-10(6-8-11)15-13(9-20)17-22-16(21)12-3-1-2-4-14(12)24(17)23-18(15)25/h1-8,21H,(H,23,25)
InChIKey XJOBYQNZLLRXKZ-UHFFFAOYSA-N
Literature Reference Author M.A.AL-SHEIKH
Literature Reference Citation MOLECULES,13,2750(2008)
Literature Reference DOI 10.3390/molecules13112750
Molecular Weight 408.275 g/mol
Sample ID 56831
Solvent DMSO-D6