John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=14M1Qm2uVMA SpectraBase Spectrum ID=B8hAn9lvQMF

(accessed ).
1-(PARA-CHLOROANILINO)-2,7-DI-(PARA-CHLOROPHENYL)-2,7-DIAZA-TETRACYCLO-[4.4.2.0(3,12).0(8,11)]-DODECANE-4,10-DIONE
SpectraBase Compound ID 14M1Qm2uVMA
InChI InChI=1S/C28H22Cl3N3O2/c29-15-1-7-18(8-2-15)32-28-24(36)14-22-26(28)25-21(33(22)19-9-3-16(30)4-10-19)13-23(35)27(25)34(28)20-11-5-17(31)6-12-20/h1-12,21-22,25-27,32H,13-14H2
InChIKey GKVKABOASYBYJY-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 B8hAn9lvQMF
Name 1-(PARA-CHLOROANILINO)-2,7-DI-(PARA-CHLOROPHENYL)-2,7-DIAZA-TETRACYCLO-[4.4.2.0(3,12).0(8,11)]-DODECANE-4,10-DIONE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22Cl3N3O2
InChI InChI=1S/C28H22Cl3N3O2/c29-15-1-7-18(8-2-15)32-28-24(36)14-22-26(28)25-21(33(22)19-9-3-16(30)4-10-19)13-23(35)27(25)34(28)20-11-5-17(31)6-12-20/h1-12,21-22,25-27,32H,13-14H2
InChIKey GKVKABOASYBYJY-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 DMSO-D6
Source File Reference UWWR338
SpectraBase Batch ID DdJo600Y0wE