![Dibenzo[b,k][1,5,9,13]tetraazacyclohexadecine, 3,13-dichloro-6,7,8,9,10,17,18,19-octahydro-, nickel complex](/api/spectrum/6lSUtdHEIck/structure.png?h=300&w=458 "Dibenzo[b,k][1,5,9,13]tetraazacyclohexadecine, 3,13-dichloro-6,7,8,9,10,17,18,19-octahydro-, nickel complex")
| SpectraBase Compound ID | EjtVkbqc1h3 |
|---|---|
| InChI | InChI=1S/C20H20Cl2N4.Ni/c21-17-3-5-19-15(11-17)13-23-7-1-8-24-14-16-12-18(22)4-6-20(16)26-10-2-9-25-19;/h3-6,11-14H,1-2,7-10H2;/q-2;+2/b23-13+,24-14+; |
| InChIKey | GBAISSRPCOFVKT-XSEMBQBTSA-N |
| Mol Weight | 446.01 g/mol |
| Molecular Formula | C20H20Cl2N4Ni |
| Exact Mass | 444.041844 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6lSUtdHEIck |
|---|---|
| Name | Dibenzo[b,k][1,5,9,13]tetraazacyclohexadecine, 3,13-dichloro-6,7,8,9,10,17,18,19-octahydro-, nickel complex |
| CAS Registry Number | 108072-90-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H20Cl2N4Ni |
| InChI | InChI=1S/C20H20Cl2N4.Ni/c21-17-3-5-19-15(11-17)13-23-7-1-8-24-14-16-12-18(22)4-6-20(16)26-10-2-9-25-19;/h3-6,11-14H,1-2,7-10H2;/q-2;+2/b23-13+,24-14+; |
| InChIKey | GBAISSRPCOFVKT-XSEMBQBTSA-N |
| Molecular Weight | 446.007 g/mol |
| SMILES | c12[N-]3[Ni+2]45[N](=Cc1cc(cc2)Cl)CCC[N]5=Cc1cc(Cl)ccc1[N-]4CCC3 |
| SPLASH | splash10-0005-0010900000-2c0538e8f860aa147b4d |
| Source of Spectrum | B-39-1244-11 |
| Synonyms | Nickel, [3,13-dichloro-6,7,8,9,10,17,18,19-octahydrodibenzo[b,k][1,5,9,13]tetraazacyclohexadecinato(2-)-N6,N10,N16,N20]-, (SP-4-2)- 2,12-Dichloro-5,6,7,8,9,16,17,18-octahydro-5H-dibenzo[b,k][1,5,9,13]tetraazacyclohexadecinato(2-)nickel(II) 5,17-dichloro-1-aza-9,13-diaza-21-aza-25-nickelahexacyclo[11.11.1.0(2,7).0(9,25).0(15,20).0(21,25)]pentacosa-2(7),3,5,8,13,15(20),16,18-octaene-25,25-bis(ylium)-1,21-diide |
| Wiley ID | 1385883 |