![Ethyl 5-ethoxy-4-[(ethoxycarbothioyl)sulfanyl]-pentanoate](/api/spectrum/CY3ufaIiLz7/structure.png?h=300&w=458 "Ethyl 5-ethoxy-4-[(ethoxycarbothioyl)sulfanyl]-pentanoate")
| SpectraBase Compound ID | 6Oa4E4YMB49 |
|---|---|
| InChI | InChI=1S/C12H22O4S2/c1-4-14-9-10(18-12(17)16-6-3)7-8-11(13)15-5-2/h10H,4-9H2,1-3H3 |
| InChIKey | ITKKLAJXTMNBPH-UHFFFAOYSA-N |
| Mol Weight | 294.42 g/mol |
| Molecular Formula | C12H22O4S2 |
| Exact Mass | 294.095952 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CY3ufaIiLz7 |
|---|---|
| Name | Ethyl 5-ethoxy-4-[(ethoxycarbothioyl)sulfanyl]-pentanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H22O4S2 |
| InChI | InChI=1S/C12H22O4S2/c1-4-14-9-10(18-12(17)16-6-3)7-8-11(13)15-5-2/h10H,4-9H2,1-3H3 |
| InChIKey | ITKKLAJXTMNBPH-UHFFFAOYSA-N |
| Molecular Weight | 294.424 g/mol |
| SMILES | C(=S)(SC(CCC(=O)OCC)COCC)OCC |
| SPLASH | splash10-0002-9650000000-3771ca620f72d951336e |
| Source of Spectrum | C-123-4724-20 |
| Wiley ID | 1700698 |