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1-(META-CHLOROANILINO)-2,7-DI-(META-CHLOROPHENYL)-2,7-DIAZA-TETRACYCLO-[4.4.2.0(3,12).0(8,11)]-DODECANE-4,10-DIONE
SpectraBase Compound ID Hy8V7oZ0kxq
InChI InChI=1S/C28H22Cl3N3O2/c29-15-4-1-7-18(10-15)32-28-24(36)14-22-26(28)25-21(33(22)19-8-2-5-16(30)11-19)13-23(35)27(25)34(28)20-9-3-6-17(31)12-20/h1-12,21-22,25-27,32H,13-14H2
InChIKey TTWJDADEIBWZGX-UHFFFAOYSA-N
Mol Weight 538.86 g/mol
Molecular Formula C28H22Cl3N3O2
Exact Mass 537.07776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEna0XeznH
Name 1-(META-CHLOROANILINO)-2,7-DI-(META-CHLOROPHENYL)-2,7-DIAZA-TETRACYCLO-[4.4.2.0(3,12).0(8,11)]-DODECANE-4,10-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22Cl3N3O2
InChI InChI=1S/C28H22Cl3N3O2/c29-15-4-1-7-18(10-15)32-28-24(36)14-22-26(28)25-21(33(22)19-8-2-5-16(30)11-19)13-23(35)27(25)34(28)20-9-3-6-17(31)12-20/h1-12,21-22,25-27,32H,13-14H2
InChIKey TTWJDADEIBWZGX-UHFFFAOYSA-N
Literature Reference Author B.R.D'ARCY,K.G.LEWIS,C.E.MULQUINEY
Literature Reference Citation AUSTR.J.CHEM.,40,509(1987)
Literature Reference DOI 10.1071/ch9870509
Molecular Weight 538.861 g/mol
Solvent PYRIDINE-D5
Source File Reference UWWR339