| SpectraBase Compound ID | JpdK3PJemti |
|---|---|
| InChI | InChI=1S/C10H10O3S/c1-7(11)5-8(12)6-9(13)10-3-2-4-14-10/h2-4H,5-6H2,1H3 |
| InChIKey | DNNXEIYTZSGRCE-UHFFFAOYSA-N |
| Mol Weight | 210.25 g/mol |
| Molecular Formula | C10H10O3S |
| Exact Mass | 210.035065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JD9E9BbNoed |
|---|---|
| Name | 1-(2-Thienyl)hexane-1,3,5-trione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.035065353 u |
| Formula | C10H10O3S |
| InChI | InChI=1S/C10H10O3S/c1-7(11)5-8(12)6-9(13)10-3-2-4-14-10/h2-4H,5-6H2,1H3 |
| InChIKey | DNNXEIYTZSGRCE-UHFFFAOYSA-N |
| Molecular Weight | 210.247 g/mol |
| SMILES | C(CC(CC(C)=O)=O)(=O)C1=CC=CS1 |