| SpectraBase Compound ID | DemAzEeeMfB |
|---|---|
| InChI | InChI=1S/C44H28N4O.Zn/c49-39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31;/h1-27H,(H-2,45,46,47,48,49);/q-2;+2/b40-32-,40-34-,41-33-,41-35-,42-36-,42-38-,43-37-,44-43-; |
| InChIKey | WGBPMRJIFWJSBS-SHKHMHAWSA-N |
| Mol Weight | 694.1 g/mol |
| Molecular Formula | C44H28N4OZn |
| Exact Mass | 692.155454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8D4Bvp0jn6Z |
|---|---|
| Name | (2-Hydroxy-5,10,15,20-tetraphenylporphinato)zinc(ii) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 692.155453537 u |
| Formula | C44H28N4OZn |
| InChI | InChI=1S/C44H28N4O.Zn/c49-39-27-38-42(30-17-9-3-10-18-30)36-24-23-34(46-36)40(28-13-5-1-6-14-28)32-21-22-33(45-32)41(29-15-7-2-8-16-29)35-25-26-37(47-35)43(44(39)48-38)31-19-11-4-12-20-31;/h1-27H,(H-2,45,46,47,48,49);/q-2;+2/b40-32-,40-34-,41-33-,41-35-,42-36-,42-38-,43-37-,44-43-; |
| InChIKey | WGBPMRJIFWJSBS-SHKHMHAWSA-N |
| SMILES | C=12N3[Zn]N4C(=C(C5=NC(=C2C2=CC=CC=C2)C=C5)C2=CC=CC=C2)C=CC4=C(C2=NC(=C(C3=CC1O)C1=CC=CC=C1)C=C2)C1=CC=CC=C1 |