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N-(2,6-DICHLOROPHENYL)-7-[BIS-(PARA-FLUOROPHENYL)-METHYLENE]-OCTAHYDRO-2H-PYRIDO-[1,2-A]-PYRIDAZINE-2-ACETAMIDE
SpectraBase Compound ID 7dmJfMBCSRg
InChI InChI=1S/C29H27Cl2F2N3O/c30-25-2-1-3-26(31)29(25)34-27(37)18-35-14-15-36-16-21(8-13-24(36)17-35)28(19-4-9-22(32)10-5-19)20-6-11-23(33)12-7-20/h1-7,9-12,24H,8,13-18H2,(H,34,37)
InChIKey FPKSKQOFMOLQMH-UHFFFAOYSA-N
Mol Weight 542.46 g/mol
Molecular Formula C29H27Cl2F2N3O
Exact Mass 541.149924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HxJEjD6zMCf
Name N-(2,6-DICHLOROPHENYL)-7-[BIS-(PARA-FLUOROPHENYL)-METHYLENE]-OCTAHYDRO-2H-PYRIDO-[1,2-A]-PYRIDAZINE-2-ACETAMIDE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H27Cl2F2N3O
InChI InChI=1S/C29H27Cl2F2N3O/c30-25-2-1-3-26(31)29(25)34-27(37)18-35-14-15-36-16-21(8-13-24(36)17-35)28(19-4-9-22(32)10-5-19)20-6-11-23(33)12-7-20/h1-7,9-12,24H,8,13-18H2,(H,34,37)
InChIKey FPKSKQOFMOLQMH-UHFFFAOYSA-N
Literature Reference Author M.A.SALEH,F.COMPERNOLLE,S.VANDENBRANDEN,W.DEBUYSSER,G.HOORNA ERT
Literature Reference Citation J.ORG.CHEM.,58,690(1993)
Literature Reference DOI 10.1021/jo00055a023
Molecular Weight 542.456 g/mol
Solvent CDCl3
Source File Reference UWCS18870