| SpectraBase Compound ID | 4gvYImaBfR3 |
|---|---|
| InChI | InChI=1S/C52H48N4/c1-3-5-27-39-40(28-6-4-2)52-50(38-25-17-10-18-26-38)46-34-32-44(55-46)48(36-21-13-8-14-22-36)42-30-29-41(53-42)47(35-19-11-7-12-20-35)43-31-33-45(54-43)49(51(39)56-52)37-23-15-9-16-24-37/h7-26,29-34,39-40,54-55H,3-6,27-28H2,1-2H3/b47-41-,47-43-,48-42-,48-44-,49-45-,50-46-,51-49-,52-50-/t39-,40-/m0/s1 |
| InChIKey | PZZXNUTVZWPWFR-WCGGEQFFSA-N |
| Mol Weight | 729.0 g/mol |
| Molecular Formula | C52H48N4 |
| Exact Mass | 728.387898 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 | HiTk8OdyQQz |
|---|---|
| Name | trans-2,3-Dibutyl-5,10,15-20-Tetraphenylchlorin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C52H48N4 |
| InChI | InChI=1S/C52H48N4/c1-3-5-27-39-40(28-6-4-2)52-50(38-25-17-10-18-26-38)46-34-32-44(55-46)48(36-21-13-8-14-22-36)42-30-29-41(53-42)47(35-19-11-7-12-20-35)43-31-33-45(54-43)49(51(39)56-52)37-23-15-9-16-24-37/h7-26,29-34,39-40,54-55H,3-6,27-28H2,1-2H3/b47-41-,47-43-,48-42-,48-44-,49-45-,50-46-,51-49-,52-50-/t39-,40-/m0/s1 |
| InChIKey | PZZXNUTVZWPWFR-WCGGEQFFSA-N |
| Molecular Weight | 728.984 g/mol |
| SMILES | [nH]1c2ccc1c(c1nc(c(c3[nH]c(c(c4nc(c2-c2ccccc2)[C@]([C@@]4(CCCC)[H])(CCCC)[H])-c2ccccc2)cc3)-c2ccccc2)cc1)-c1ccccc1 |
| SPLASH | splash10-004i-0000000900-1f9cf0f6ac9e81daaf8e |
| Source of Spectrum | QE-6-2733-16 |
| Wiley ID | 844866 |