| SpectraBase Compound ID | B8yKP8H2EFe |
|---|---|
| InChI | InChI=1S/2C8H10O3S.C6H12/c2*1-7-3-5-8(6-4-7)12(9,10)11-2;1-2-4-6-5-3-1/h2*3-6H,1-2H3;1-6H2 |
| InChIKey | IUEYQDVCLUDCLG-UHFFFAOYSA-N |
| Mol Weight | 456.61 g/mol |
| Molecular Formula | C22H32O6S2 |
| Exact Mass | 456.164031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cj8bnVvfpO0 |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H28O6S2 |
| InChI | InChI=1S/2C8H10O3S.C6H12/c2*1-7-3-5-8(6-4-7)12(9,10)11-2;1-2-4-6-5-3-1/h2*3-6H,1-2H3;1-6H2 |
| InChIKey | IUEYQDVCLUDCLG-UHFFFAOYSA-N |
| Molecular Weight | 456.1632 |
| SMILES | COS(=O)(c1ccc(C)cc1)=O.c1cc(S(OC)(=O)=O)ccc1C.C1CCCCC1 |
| SPLASH | splash10-0a4l-9810000000-d1a126dbd8e5fe3461a8 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |