| SpectraBase Compound ID | 8pLhw0lyIns |
|---|---|
| InChI | InChI=1S/C44H28N4.Cu/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;/i5D,6D,7D,8D,9D,10D,11D,12D; |
| InChIKey | RKTYLMNFRDHKIL-VXXAOKOISA-N |
| Mol Weight | 684.3 g/mol |
| Molecular Formula | C44H202D8CuN4 |
| Exact Mass | 683.211208 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Kdhijk2zaTA |
|---|---|
| Name | Cut(3,5-dideuterio)pp |
| CAS Registry Number | 51068-97-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C44H20D8CuN4 |
| InChI | InChI=1S/C44H28N4.Cu/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;/i5D,6D,7D,8D,9D,10D,11D,12D; |
| InChIKey | RKTYLMNFRDHKIL-VXXAOKOISA-N |
| Molecular Weight | 684.331 g/mol |
| SMILES | c12[n]3[Cu][n]4c(c(c5nc(c2-c2cc([2D])cc(c2)[2D])cc5)-c2cc([2D])cc(c2)[2D])ccc4c(c2nc(c(c3cc1)-c1cc([2D])cc(c1)[2D])cc2)-c1cc([2D])cc(c1)[2D] |
| SPLASH | splash10-001i-0001009000-4d0c293e9d84e3c5766e |
| Source of Spectrum | O-9-79-5 |
| Synonyms | Copper tetra(3,5-dideuterophenyl)porphin |
| Wiley ID | 1414138 |