![Bis[N-Dodecylpyrrole]tetrathiahomoporphycene](/api/spectrum/KRM90LHfhfs/structure.png?h=300&w=458 "Bis[N-Dodecylpyrrole]tetrathiahomoporphycene")
| SpectraBase Compound ID | EYNCjhv2sc8 |
|---|---|
| InChI | InChI=1S/C52H66N2S4/c1-3-5-7-9-11-13-15-17-19-21-39-53-45-31-32-46(53)50-36-28-42(56-50)24-26-44-30-38-52(58-44)48-34-33-47(54(48)40-22-20-18-16-14-12-10-8-6-4-2)51-37-29-43(57-51)25-23-41-27-35-49(45)55-41/h23-38H,3-22,39-40H2,1-2H3/b25-23-,26-24-,41-23-,42-24-,43-25-,44-26-,49-45-,50-46-,51-47-,52-48- |
| InChIKey | RUMGYPYHOMWNOG-HQVYPJBPSA-N |
| Mol Weight | 847.4 g/mol |
| Molecular Formula | C52H66N2S4 |
| Exact Mass | 846.410885 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KRM90LHfhfs |
|---|---|
| Name | Bis[N-Dodecylpyrrole]tetrathiahomoporphycene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C52H66N2S4 |
| InChI | InChI=1S/C52H66N2S4/c1-3-5-7-9-11-13-15-17-19-21-39-53-45-31-32-46(53)50-36-28-42(56-50)24-26-44-30-38-52(58-44)48-34-33-47(54(48)40-22-20-18-16-14-12-10-8-6-4-2)51-37-29-43(57-51)25-23-41-27-35-49(45)55-41/h23-38H,3-22,39-40H2,1-2H3/b25-23-,26-24-,41-23-,42-24-,43-25-,44-26-,49-45-,50-46-,51-47-,52-48- |
| InChIKey | RUMGYPYHOMWNOG-HQVYPJBPSA-N |
| Molecular Weight | 847.354 g/mol |
| SMILES | c1-2[n](c(-c3sc(\C=C/c4sc(-c5ccc(-c6sc(\C=C/c7sc2cc7)cc6)[n]5CCCCCCCCCCCC)cc4)cc3)cc1)CCCCCCCCCCCC |
| SPLASH | splash10-0002-0010000090-8cf330f525ca0836b012 |
| Source of Spectrum | AT-34-1882-8 |
| Wiley ID | 852486 |