| SpectraBase Compound ID | 888cFHg4BGS |
|---|---|
| InChI | InChI=1S/C28H16S6/c1-2-18-6-10-22(30-18)26-15-16-28(34-26)24-12-8-20(32-24)4-3-19-7-11-23(31-19)27-14-13-25(33-27)21-9-5-17(1)29-21/h1-16H/b2-1-,4-3-,17-1-,18-2-,19-3-,20-4-,25-21-,26-22-,27-23-,28-24- |
| InChIKey | XKJXMWLVSKBORR-XVUMACRYSA-N |
| Mol Weight | 544.8 g/mol |
| Molecular Formula | C28H16S6 |
| Exact Mass | 543.957628 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CDB1yHfakm8 |
|---|---|
| Name | Hexathiahomoporphycene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H16S6 |
| InChI | InChI=1S/C28H16S6/c1-2-18-6-10-22(30-18)26-15-16-28(34-26)24-12-8-20(32-24)4-3-19-7-11-23(31-19)27-14-13-25(33-27)21-9-5-17(1)29-21/h1-16H/b2-1-,4-3-,17-1-,18-2-,19-3-,20-4-,25-21-,26-22-,27-23-,28-24- |
| InChIKey | XKJXMWLVSKBORR-XVUMACRYSA-N |
| Molecular Weight | 544.796 g/mol |
| SMILES | c1-2sc(-c3sc(\C=C/c4sc(-c5ccc(-c6sc(\C=C/c7sc2cc7)cc6)s5)cc4)cc3)cc1 |
| SPLASH | splash10-0f8a-0930010000-de0053d43c7aed495308 |
| Source of Spectrum | AT-34-1882-6 |
| Synonyms | 29,30,31,32,33,34-hexathiaheptacyclo[24.2.1.1(2,5).1(6,9).1(12,15).1(16,19).1(20,23)]tetratriaconta-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene |
| Wiley ID | 852488 |