| SpectraBase Compound ID | 6jPzxjxZzp4 |
|---|---|
| InChI | InChI=1S/C27H40O4S2/c1-18(29)31-17-26(4)11-9-20-19(21(26)15-24-32-13-6-14-33-24)7-8-22-25(2,3)23(30-5)10-12-27(20,22)16-28/h6,8,13,15,19-21,23,28H,7,9-12,14,16-17H2,1-5H3/b24-15+ |
| InChIKey | HRONDWCVUSBYHM-BUVRLJJBSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C27H40O4S2 |
| Exact Mass | 492.236802 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Cdb3LWU476J |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C27H38O4S2 |
| InChI | InChI=1S/C27H40O4S2/c1-18(29)31-17-26(4)11-9-20-19(21(26)15-24-32-13-6-14-33-24)7-8-22-25(2,3)23(30-5)10-12-27(20,22)16-28/h6,8,13,15,19-21,23,28H,7,9-12,14,16-17H2,1-5H3/b24-15+ |
| InChIKey | HRONDWCVUSBYHM-BUVRLJJBSA-N |
| Molecular Weight | 492.2358 |
| SMILES | OCC12C3CCC(COC(C)=O)(C)C(\C=C/4SC=CCS4)C3CC=C2C(C)(C)C(CC1)OC |
| SPLASH | splash10-0006-9853300000-7ebbe1c00ba733d41a08 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |