| SpectraBase Compound ID | DK6KlNWLFFY |
|---|---|
| InChI | InChI=1S/C7H12O3S/c1-10-7(9)5-6(8)3-4-11-2/h3-5H2,1-2H3 |
| InChIKey | BUQCLWBTCPWQHB-UHFFFAOYSA-N |
| Mol Weight | 176.23 g/mol |
| Molecular Formula | C7H12O3S |
| Exact Mass | 176.050715 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CmU9uGAUqWX |
|---|---|
| Name | Methyl 5-methylthio-3-oxopentanoate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O3S |
| InChI | InChI=1S/C7H12O3S/c1-10-7(9)5-6(8)3-4-11-2/h3-5H2,1-2H3 |
| InChIKey | BUQCLWBTCPWQHB-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 176.230 g/mol |
| SMILES | COC(=O)CC(=O)CCSC |
| SPLASH | splash10-05p6-9400000000-9cb24a06fbe685520b8b |
| Source of Spectrum | SRH-2022-7275-0 |
| Wiley ID | 1829074 |