| SpectraBase Compound ID | L5MaZ80lI1i |
|---|---|
| InChI | InChI=1S/C9H16O2S2/c1-9(12-6-7-13-9)5-3-4-8(10)11-2/h3-7H2,1-2H3 |
| InChIKey | FXDRCAJCSIINIA-UHFFFAOYSA-N |
| Mol Weight | 220.34 g/mol |
| Molecular Formula | C9H16O2S2 |
| Exact Mass | 220.059172 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IA87TYIDFCi |
|---|---|
| Name | 4-(2-Methyl-1,3-dithiolan-2-yl)butanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.059172101 u |
| Formula | C9H16O2S2 |
| InChI | InChI=1S/C9H16O2S2/c1-9(12-6-7-13-9)5-3-4-8(10)11-2/h3-7H2,1-2H3 |
| InChIKey | FXDRCAJCSIINIA-UHFFFAOYSA-N |
| Molecular Weight | 220.345 g/mol |
| SMILES | C1(SCCS1)(CCCC(=O)OC)C |