| SpectraBase Compound ID | WkTqPEvixB |
|---|---|
| InChI | InChI=1S/C9H11NO3S/c1-7(2)9(11)8-5-4-6-10(8)14(3,12)13/h4-6H,1H2,2-3H3 |
| InChIKey | GFHNRKALRNTVDD-UHFFFAOYSA-N |
| Mol Weight | 213.25 g/mol |
| Molecular Formula | C9H11NO3S |
| Exact Mass | 213.045964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K2lP6DrRUsQ |
|---|---|
| Name | 1-(1-Methanesulfonyl-1H-pyrrol-2-yl)-2-methylpropen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.045964389 u |
| Formula | C9H11NO3S |
| InChI | InChI=1S/C9H11NO3S/c1-7(2)9(11)8-5-4-6-10(8)14(3,12)13/h4-6H,1H2,2-3H3 |
| InChIKey | GFHNRKALRNTVDD-UHFFFAOYSA-N |
| Molecular Weight | 213.251 g/mol |
| SMILES | CS(N1C(C(C(=C)C)=O)=CC=C1)(=O)=O |