| SpectraBase Compound ID | LZOJC6CmTMb |
|---|---|
| InChI | InChI=1S/C17H22O3S.C7H8O3S/c1-11-2-4-16(5-3-11)21(18,19)20-17-14-7-12-6-13(9-14)10-15(17)8-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,12-15,17H,6-10H2,1H3;2-5H,1H3,(H,8,9,10)/t12-,13+,14-,15+,17-; |
| InChIKey | ZRRFGBHGJUHMCV-FAHTWGEZSA-N |
| Mol Weight | 478.62 g/mol |
| Molecular Formula | C24H30O6S2 |
| Exact Mass | 478.148381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | bEK4HWwWnZ |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C24H28O6S2 |
| InChI | InChI=1S/C17H22O3S.C7H8O3S/c1-11-2-4-16(5-3-11)21(18,19)20-17-14-7-12-6-13(9-14)10-15(17)8-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,12-15,17H,6-10H2,1H3;2-5H,1H3,(H,8,9,10)/t12-,13+,14-,15+,17-; |
| InChIKey | ZRRFGBHGJUHMCV-FAHTWGEZSA-N |
| Molecular Weight | 478.1476 |
| SMILES | OS(=O)(=O)c1ccc(C)cc1.C1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3OS(=O)(=O)c1ccc(C)cc1)[H])(C2)[H])[H])[H] |
| SPLASH | splash10-001l-7902000000-86486e60ed172c28cd55 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |