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6-DIMETHYLAMINO-3,4-DIPHENYL-8-(4'-PIPERAZINOACETOPHENONE)-PYRIMIDO-[4',5':4,5]-THIENO-[2,3-C]-PYRIDAZINE
SpectraBase Compound ID BeXAnIw86Sh
InChI InChI=1S/C34H31N7OS/c1-22(42)23-14-16-26(17-15-23)40-18-20-41(21-19-40)32-31-30(35-34(36-32)39(2)3)28-27(24-10-6-4-7-11-24)29(37-38-33(28)43-31)25-12-8-5-9-13-25/h4-17H,18-21H2,1-3H3
InChIKey VCXLBZLUOPXHSB-UHFFFAOYSA-N
Mol Weight 585.7 g/mol
Molecular Formula C34H31N7OS
Exact Mass 585.23108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZUC0fmIH7x
Name 6-DIMETHYLAMINO-3,4-DIPHENYL-8-(4'-PIPERAZINOACETOPHENONE)-PYRIMIDO-[4',5':4,5]-THIENO-[2,3-C]-PYRIDAZINE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H31N7OS
InChI InChI=1S/C34H31N7OS/c1-22(42)23-14-16-26(17-15-23)40-18-20-41(21-19-40)32-31-30(35-34(36-32)39(2)3)28-27(24-10-6-4-7-11-24)29(37-38-33(28)43-31)25-12-8-5-9-13-25/h4-17H,18-21H2,1-3H3
InChIKey VCXLBZLUOPXHSB-UHFFFAOYSA-N
Literature Reference Author J.M.QUINTELA,M.C.VEIGA,S.CONDE,C.PEINADOR
Literature Reference Citation MH.CHEM.,127,739(1996)
Literature Reference DOI 10.1007/BF00817265
Molecular Weight 585.726 g/mol
Solvent CDCl3
Source File Reference UWMZ117