![2,8,9,15,21,22-Hexathiapentacyclo[21.3.1.1(3,7).1(10,14).1(16,20)]triaconta-1(27),3,5,7(30),10,12,14(29),16,18,20(28),23,25-dodecaene, 4,6,11,13,17,19,24,26,27,28,29,30-dodecamethyl-](/api/spectrum/FQJLL2YF6gm/structure.png?h=300&w=458 "2,8,9,15,21,22-Hexathiapentacyclo[21.3.1.1(3,7).1(10,14).1(16,20)]triaconta-1(27),3,5,7(30),10,12,14(29),16,18,20(28),23,25-dodecaene, 4,6,11,13,17,19,24,26,27,28,29,30-dodecamethyl-")
| SpectraBase Compound ID | Lgu9L9wpPfL |
|---|---|
| InChI | InChI=1S/C36H40S6/c1-17-13-21(5)33-25(9)29(17)37-30-18(2)14-22(6)34(26(30)10)41-42-36-24(8)16-20(4)32(28(36)12)38-31-19(3)15-23(7)35(27(31)11)40-39-33/h13-16H,1-12H3 |
| InChIKey | RKLVKXQSINBSFD-UHFFFAOYSA-N |
| Mol Weight | 665.1 g/mol |
| Molecular Formula | C36H40S6 |
| Exact Mass | 664.145428 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FQJLL2YF6gm |
|---|---|
| Name | 2,8,9,15,21,22-Hexathiapentacyclo[21.3.1.1(3,7).1(10,14).1(16,20)]triaconta-1(27),3,5,7(30),10,12,14(29),16,18,20(28),23,25-dodecaene, 4,6,11,13,17,19,24,26,27,28,29,30-dodecamethyl- |
| CAS Registry Number | 60822-16-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H40S6 |
| InChI | InChI=1S/C36H40S6/c1-17-13-21(5)33-25(9)29(17)37-30-18(2)14-22(6)34(26(30)10)41-42-36-24(8)16-20(4)32(28(36)12)38-31-19(3)15-23(7)35(27(31)11)40-39-33/h13-16H,1-12H3 |
| InChIKey | RKLVKXQSINBSFD-UHFFFAOYSA-N |
| Molecular Weight | 665.076 g/mol |
| SMILES | c12Sc3c(c(SSc4c(c(Sc5c(c(SSc(c2C)c(cc1C)C)c(cc5C)C)C)c(cc4C)C)C)c(cc3C)C)C |
| SPLASH | splash10-02t9-0022009000-8bd4f3e0705fbbf43e4a |
| Source of Spectrum | F-33-338-1 |
| Synonyms | 1,2,9,16,17,24-Hexathia[2.1.2.1]-4,6,8,11,13,15,19,21,23,26,28,30-dodecamethyl-metacyclophane 4,6,11,13,17,19,24,26,27,28,29,30-dodecamethyl-2,8,9,15,21,22-hexathiapentacyclo[21.3.1.1(3,7).1(10,14).1(16,20)]triaconta-1(27),3(30),4,6,10(29),11,13,16(28),17,19,23,25-dodecaene |
| Wiley ID | 1413701 |