![11,21-dichloro-2,15,17-trioxa-7,8,24,25-tetraaza-16-nickelapentacyclo[24.2.2.2(3,6).0(9,14).0(18,23)]dotriaconta-1(28),3,5,7,9,11,13,18(23),19,21,24,26,29,31-tetradecaene dihydrate](/api/spectrum/A3dsUwD3uRk/structure.png?h=300&w=458 "11,21-dichloro-2,15,17-trioxa-7,8,24,25-tetraaza-16-nickelapentacyclo[24.2.2.2(3,6).0(9,14).0(18,23)]dotriaconta-1(28),3,5,7,9,11,13,18(23),19,21,24,26,29,31-tetradecaene dihydrate")
| SpectraBase Compound ID | FbSvGTBHLbw |
|---|---|
| InChI | InChI=1S/C24H16Cl2N4O3.Ni.2H2O/c25-15-1-11-23(31)21(13-15)29-27-17-3-7-19(8-4-17)33-20-9-5-18(6-10-20)28-30-22-14-16(26)2-12-24(22)32;;;/h1-14,31-32H;;2*1H2/q;+2;;/p-2 |
| InChIKey | PAAGMWJGVJOBAQ-UHFFFAOYSA-L |
| Mol Weight | 572.03 g/mol |
| Molecular Formula | C24H18Cl2N4NiO5 |
| Exact Mass | 570.000767 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A3dsUwD3uRk |
|---|---|
| Name | 11,21-dichloro-2,15,17-trioxa-7,8,24,25-tetraaza-16-nickelapentacyclo[24.2.2.2(3,6).0(9,14).0(18,23)]dotriaconta-1(28),3,5,7,9,11,13,18(23),19,21,24,26,29,31-tetradecaene dihydrate |
| Appearance | Dark brown solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H18Cl2N4NiO5 |
| InChI | InChI=1S/C24H16Cl2N4O3.Ni.2H2O/c25-15-1-11-23(31)21(13-15)29-27-17-3-7-19(8-4-17)33-20-9-5-18(6-10-20)28-30-22-14-16(26)2-12-24(22)32;;;/h1-14,31-32H;;2*1H2/q;+2;;/p-2 |
| InChIKey | PAAGMWJGVJOBAQ-UHFFFAOYSA-L |
| Instrument Name | Hewlett-Packard 5988 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/aoc.5883 |
| Molecular Weight | 572.030 g/mol |
| SMILES | O.c1(Cl)ccc2c(c1)N=Nc1ccc(Oc3ccc(N=Nc4c(O[Ni]O2)ccc(Cl)c4)cc3)cc1.O |
| SPLASH | splash10-00fr-6900000000-ff190428b0428be04582 |
| Source of Spectrum | AOC-34-9-Fig. 3b |
| Wiley ID | 1855709 |