| SpectraBase Compound ID | I1G7xnvlXoL |
|---|---|
| InChI | InChI=1S/C32H16N8.Ni/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+4 |
| InChIKey | KGDHFLKFBWYTHK-UHFFFAOYSA-N |
| Mol Weight | 571.2 g/mol |
| Molecular Formula | C32H16N8Ni |
| Exact Mass | 570.085135 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6mxIBFbFD9w |
|---|---|
| Name | Nickel phthalocyanine |
| Alternate Name(s) | Nickel(II) phthalocyanine Phthalocyaninatonickel (II) Nickel, [29H,31H-phthalocyaninato(2-)-N(29),N(30),N(31),N(32)-], (SP-4-1)- (Phthalocyaninato(2-))nickel Nickel phthalocyanine blue Nickel, (phthalocyaninato(2-))- 2,1-Phthalocyaninato nickel Nickel, (29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32)-, (SP-4-1)- |
| CAS Registry Number | 14055-02-8 |
| Comments | Structure changed after expert review |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H16N8Ni |
| InChI | InChI=1S/C32H16N8.Ni/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;/q-2;+4 |
| InChIKey | KGDHFLKFBWYTHK-UHFFFAOYSA-N |
| Molecular Weight | 571.229 g/mol |
| SMILES | c12N=C3[N+]=4[Ni]56[n]2c(N=C2[N+]6=C(N=C6N5C(=NC4c4c3cccc4)c3c6cccc3)c3c2cccc3)c2c1cccc2 |
| SPLASH | splash10-00di-0000090000-9bacf2ca0176a26e032b |
| Source of Spectrum | M-32-307-0 |
| Wiley ID | 1407703 |