![2-[5',13',21'-tris(Benzenesulfonyl)-3',7',11',15',19',23',27,31''-octamethyldotriaconta-2',6',10',14',18',22',26',30'-octaenyl]-4-methoxyphenol](/api/spectrum/8M1vooUJoDk/structure.png?h=300&w=458 "2-[5',13',21'-tris(Benzenesulfonyl)-3',7',11',15',19',23',27,31''-octamethyldotriaconta-2',6',10',14',18',22',26',30'-octaenyl]-4-methoxyphenol")
| SpectraBase Compound ID | 7B1A7MAvWVe |
|---|---|
| InChI | InChI=1S/C65H84O8S3/c1-49(2)24-20-25-50(3)26-21-27-51(4)42-62(74(67,68)59-32-14-11-15-33-59)43-52(5)28-22-29-53(6)44-63(75(69,70)60-34-16-12-17-35-60)45-54(7)30-23-31-55(8)46-64(76(71,72)61-36-18-13-19-37-61)47-56(9)38-39-57-48-58(73-10)40-41-65(57)66/h11-19,24,26,28,30,32-38,40-42,44,46,48,62-64,66H,20-23,25,27,29,31,39,43,45,47H2,1-10H3/b50-26+,51-42+,52-28+,53-44+,54-30+,55-46+,56-38+ |
| InChIKey | GTMADEDMICEPHC-JVCFNXRFSA-N |
| Mol Weight | 1089.6 g/mol |
| Molecular Formula | C65H84O8S3 |
| Exact Mass | 1088.532833 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8M1vooUJoDk |
|---|---|
| Name | 2-[5',13',21'-tris(Benzenesulfonyl)-3',7',11',15',19',23',27,31''-octamethyldotriaconta-2',6',10',14',18',22',26',30'-octaenyl]-4-methoxyphenol |
| Comments | Note: The molecular formula of the structure shown is C65H84O8S3 - which differs from the formula reported for the mass spectrum (C64H80O6S2) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C64H80O6S2 |
| InChI | InChI=1S/C65H84O8S3/c1-49(2)24-20-25-50(3)26-21-27-51(4)42-62(74(67,68)59-32-14-11-15-33-59)43-52(5)28-22-29-53(6)44-63(75(69,70)60-34-16-12-17-35-60)45-54(7)30-23-31-55(8)46-64(76(71,72)61-36-18-13-19-37-61)47-56(9)38-39-57-48-58(73-10)40-41-65(57)66/h11-19,24,26,28,30,32-38,40-42,44,46,48,62-64,66H,20-23,25,27,29,31,39,43,45,47H2,1-10H3/b50-26+,51-42+,52-28+,53-44+,54-30+,55-46+,56-38+ |
| InChIKey | GTMADEDMICEPHC-JVCFNXRFSA-N |
| Molecular Weight | 1089.559 g/mol |
| SMILES | Oc1c(C\C=C\(CC(S(=O)(=O)c2ccccc2)\C=C\(CC\C=C\(CC(S(=O)(=O)c2ccccc2)\C=C\(CC\C=C\(CC(S(=O)(=O)c2ccccc2)\C=C\(CC\C=C\(CCC=C(C)C)C)C)C)C)C)C)C)cc(cc1)OC |
| SPLASH | splash10-00ou-9510000000-0ac5aea67bc256bf3e2c |
| Source of Spectrum | AC-134-80-8 |
| Wiley ID | 812441 |