![1,4,5,8-Tetrahydro-2,7(6):3,6(7)-bis[1,4-bis(2-(2-(2-thioethoxy)ethoxy)ethoxy)phenylene]-1,4,5,8-tetrathiafulvalene](/api/spectrum/CJap41tRxrq/structure.png?h=300&w=458 "1,4,5,8-Tetrahydro-2,7(6):3,6(7)-bis[1,4-bis(2-(2-(2-thioethoxy)ethoxy)ethoxy)phenylene]-1,4,5,8-tetrathiafulvalene")
| SpectraBase Compound ID | IJtojxGEEtA |
|---|---|
| InChI | InChI=1S/C42H56O12S8/c1-2-34-4-3-33(1)51-21-17-43-9-13-47-25-29-55-37-38-57-31-27-49-15-11-45-19-23-53-35-5-7-36(8-6-35)54-24-20-46-12-16-50-28-32-58-40-39(61-42(62-40)41(59-37)60-38)56-30-26-48-14-10-44-18-22-52-34/h1-8H,9-32H2/b42-41- |
| InChIKey | GIIMUJFIOUINGJ-DYFOJMMBSA-N |
| Mol Weight | 1009.4 g/mol |
| Molecular Formula | C42H56O12S8 |
| Exact Mass | 1008.153747 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CJap41tRxrq |
|---|---|
| Name | 1,4,5,8-Tetrahydro-2,7(6):3,6(7)-bis[1,4-bis(2-(2-(2-thioethoxy)ethoxy)ethoxy)phenylene]-1,4,5,8-tetrathiafulvalene |
| Alternate Name(s) | 5,8,11,17,20,23,34,37,40,46,49,52-dodecaoxa-2,13,15,26,31,42,44,55-octathiahexacyclo[54.2.2.2(27,30).0(12,16).0(14,43).0(41,45)]dohexaconta-1(58),12(16),14(43),27,29,41(45),56,59,61-nonaene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H56O12S8 |
| InChI | InChI=1S/C42H56O12S8/c1-2-34-4-3-33(1)51-21-17-43-9-13-47-25-29-55-37-38-57-31-27-49-15-11-45-19-23-53-35-5-7-36(8-6-35)54-24-20-46-12-16-50-28-32-58-40-39(61-42(62-40)41(59-37)60-38)56-30-26-48-14-10-44-18-22-52-34/h1-8H,9-32H2/b42-41- |
| InChIKey | GIIMUJFIOUINGJ-DYFOJMMBSA-N |
| Molecular Weight | 1009.378 g/mol |
| SMILES | C12=C3SC=4SCCOCCOCCOc5ccc(OCCOCCOCCSC(S2)=C(S1)SCCOCCOCCOc1ccc(OCCOCCOCCSC4S3)cc1)cc5 |
| SPLASH | splash10-004j-9000110000-a7eed15d298bd26568c4 |
| Source of Spectrum | QE-2-631-8 |
| Wiley ID | 842635 |