triphenylenophane](/api/spectrum/5EdbPOl94y/structure.png?h=300&w=458 "anti-2,23-Dithia[3.3](1,4)triphenylenophane")
| SpectraBase Compound ID | 93BUtY8JK2 |
|---|---|
| InChI | InChI=1S/C40H28S2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)38-26-18-17-25(37(33)38)21-41-23-27-19-20-28(24-42-22-26)40-36-16-8-4-12-32(36)31-11-3-7-15-35(31)39(27)40/h1-20H,21-24H2 |
| InChIKey | BUATUWCMDWAVLI-UHFFFAOYSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C40H28S2 |
| Exact Mass | 572.163243 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5EdbPOl94y |
|---|---|
| Name | anti-2,23-Dithia[3.3](1,4)triphenylenophane |
| Alternate Name(s) | 3,22-dithianonacyclo[22.14.2.2(5,20).0(6,19).0(7,12).0(13,18).0(25,38).0(26,31).0(32,37)]dotetraconta-1(39),5,6,7,9,11,12,13,15,17,18,19,24(40),25,26,28,30,31,32,34,36,37,41-tricosaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H28S2 |
| InChI | InChI=1S/C40H28S2/c1-5-13-33-29(9-1)30-10-2-6-14-34(30)38-26-18-17-25(37(33)38)21-41-23-27-19-20-28(24-42-22-26)40-36-16-8-4-12-32(36)31-11-3-7-15-35(31)39(27)40/h1-20H,21-24H2 |
| InChIKey | BUATUWCMDWAVLI-UHFFFAOYSA-N |
| Molecular Weight | 572.784 g/mol |
| SMILES | c12c(c3ccccc3c3c2cccc3)c2CSCc3c4c(c(CSCc1cc2)cc3)c1c(c2ccccc42)cccc1 |
| SPLASH | splash10-0f79-0091000000-e3e067cc148ea0eb4f1a |
| Source of Spectrum | J-62-4503-4 |
| Wiley ID | 1407928 |