| SpectraBase Compound ID | I4vZum3pMS3 |
|---|---|
| InChI | InChI=1S/C11H11NO4S/c1-17(15,16)7-6-12-10(13)8-4-2-3-5-9(8)11(12)14/h2-5H,6-7H2,1H3 |
| InChIKey | GKIVYPUVRHBWOX-UHFFFAOYSA-N |
| Mol Weight | 253.27 g/mol |
| Molecular Formula | C11H11NO4S |
| Exact Mass | 253.040879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UOe71tjB6L |
|---|---|
| Name | 2-(2-Methanesulfonylethyl)isoindole-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.040879008 u |
| Formula | C11H11NO4S |
| InChI | InChI=1S/C11H11NO4S/c1-17(15,16)7-6-12-10(13)8-4-2-3-5-9(8)11(12)14/h2-5H,6-7H2,1H3 |
| InChIKey | GKIVYPUVRHBWOX-UHFFFAOYSA-N |
| Molecular Weight | 253.272 g/mol |
| SMILES | CS(CCN1C(C2=CC=CC=C2C1=O)=O)(=O)=O |