| SpectraBase Compound ID | FVoqWmgr6BM |
|---|---|
| InChI | InChI=1S/C10H12O2S/c1-7(2)8(11)6-9(12)10-4-3-5-13-10/h3-5,7H,6H2,1-2H3 |
| InChIKey | XRTHXGCCCJCFGT-UHFFFAOYSA-N |
| Mol Weight | 196.26 g/mol |
| Molecular Formula | C10H12O2S |
| Exact Mass | 196.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6OyTAvCFLZe |
|---|---|
| Name | 4-Methyl-1-(2-thienyl)-1,3-pentanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.055800798 u |
| Formula | C10H12O2S |
| InChI | InChI=1S/C10H12O2S/c1-7(2)8(11)6-9(12)10-4-3-5-13-10/h3-5,7H,6H2,1-2H3 |
| InChIKey | XRTHXGCCCJCFGT-UHFFFAOYSA-N |
| Molecular Weight | 196.264 g/mol |
| SMILES | C1=CC=C(S1)C(CC(C(C)C)=O)=O |