triphenylenometacyclophane](/api/spectrum/4kL8yLzVfk/structure.png?h=300&w=458 "9-Methyl-2,11-dithia[3.3](1,4)triphenylenometacyclophane")
| SpectraBase Compound ID | JF9Qn7WR4Vm |
|---|---|
| InChI | InChI=1S/C29H24S2/c1-19-20-7-6-8-21(19)16-31-18-23-14-13-22(17-30-15-20)28-26-11-4-2-9-24(26)25-10-3-5-12-27(25)29(23)28/h2-14H,15-18H2,1H3 |
| InChIKey | WVYMCVRUROKHEM-UHFFFAOYSA-N |
| Mol Weight | 436.63 g/mol |
| Molecular Formula | C29H24S2 |
| Exact Mass | 436.131943 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4kL8yLzVfk |
|---|---|
| Name | 9-Methyl-2,11-dithia[3.3](1,4)triphenylenometacyclophane |
| Alternate Name(s) | 30-Methyl-18,26-dithiahexacyclo[14.11.2.1(20,24).0(2,15).0(3,8).0(9,14)]triaconta-1,2,3,5,7,8,9,11,13,14,15,20(30),21,23,28-pentadecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H24S2 |
| InChI | InChI=1S/C29H24S2/c1-19-20-7-6-8-21(19)16-31-18-23-14-13-22(17-30-15-20)28-26-11-4-2-9-24(26)25-10-3-5-12-27(25)29(23)28/h2-14H,15-18H2,1H3 |
| InChIKey | WVYMCVRUROKHEM-UHFFFAOYSA-N |
| Molecular Weight | 436.631 g/mol |
| SMILES | c12c(c3ccccc3c3c2cccc3)c2CSCc3cccc(c3C)CSCc1cc2 |
| SPLASH | splash10-0f79-0090200000-97e2a676a4e0783410fb |
| Source of Spectrum | J-62-4503-3 |
| Wiley ID | 1383678 |