| SpectraBase Compound ID | IPk6eD850iX |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-6(2)8(10)9(11)7-4-3-5-12-7/h3-6,8,10H,1-2H3 |
| InChIKey | KMMOGBPIKPMNPM-UHFFFAOYSA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H12O2S |
| Exact Mass | 184.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IbDwEahhvfV |
|---|---|
| Name | 2-Hydroxy-3-methyl-1-(thiophen-2-yl)butan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.055800798 u |
| Formula | C9H12O2S |
| InChI | InChI=1S/C9H12O2S/c1-6(2)8(10)9(11)7-4-3-5-12-7/h3-6,8,10H,1-2H3 |
| InChIKey | KMMOGBPIKPMNPM-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | C(C=1SC=CC1)(C(C(C)C)O)=O |