![[10,23]-Dithiaheptacyclo[30.3.1.2(12,15).2(18,21).14,8.1(17,21).1(25,29)]dotetraconta[1(36),4,6,8(42),12,14,18,20,25,7,29(37),32,34,38,40]pentadecaene](/api/spectrum/73RGS5Wf2wh/structure.png?h=300&w=458 "[10,23]-Dithiaheptacyclo[30.3.1.2(12,15).2(18,21).14,8.1(17,21).1(25,29)]dotetraconta[1(36),4,6,8(42),12,14,18,20,25,7,29(37),32,34,38,40]pentadecaene")
| SpectraBase Compound ID | 8Ucl4mrqAo9 |
|---|---|
| InChI | InChI=1S/C40H40S2/c1-4-33-16-18-35-6-2-8-39(25-35)29-41-27-37-20-12-31(13-21-37)10-11-32-14-22-38(23-15-32)28-42-30-40-9-3-7-36(26-40)19-17-34(5-1)24-33/h1-9,12-15,20-26H,10-11,16-19,27-30H2 |
| InChIKey | QUMWJYPKCYCKMU-UHFFFAOYSA-N |
| Mol Weight | 584.9 g/mol |
| Molecular Formula | C40H40S2 |
| Exact Mass | 584.257144 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 73RGS5Wf2wh |
|---|---|
| Name | [10,23]-Dithiaheptacyclo[30.3.1.2(12,15).2(18,21).14,8.1(17,21).1(25,29)]dotetraconta[1(36),4,6,8(42),12,14,18,20,25,7,29(37),32,34,38,40]pentadecaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C40H40S2 |
| InChI | InChI=1S/C40H40S2/c1-4-33-16-18-35-6-2-8-39(25-35)29-41-27-37-20-12-31(13-21-37)10-11-32-14-22-38(23-15-32)28-42-30-40-9-3-7-36(26-40)19-17-34(5-1)24-33/h1-9,12-15,20-26H,10-11,16-19,27-30H2 |
| InChIKey | QUMWJYPKCYCKMU-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002_1521-3897(200009)342_7_642 |
| Molecular Weight | 584.880 g/mol |
| SMILES | c1ccc2cc1CCc1cccc(CSCc3ccc(cc3)CCc3ccc(CSCc4cc(CC2)ccc4)cc3)c1 |
| SPLASH | splash10-0uxu-1816090000-381ada111a89baaccea0 |
| Source of Spectrum | JF-342-651-31 |
| Wiley ID | 1767058 |