![1H-Isoindole-1,3(2H)-dione, 2-[[(4-methylphenyl)sulfonyl]oxy]-](/api/spectrum/4ALWHgI8Sl7/structure.png?h=300&w=458 "1H-Isoindole-1,3(2H)-dione, 2-[[(4-methylphenyl)sulfonyl]oxy]-")
| SpectraBase Compound ID | Dr02nnYRVkc |
|---|---|
| InChI | InChI=1S/C15H11NO5S/c1-10-6-8-11(9-7-10)22(19,20)21-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3 |
| InChIKey | MMZCYVBYIOUFEO-UHFFFAOYSA-N |
| Mol Weight | 317.32 g/mol |
| Molecular Formula | C15H11NO5S |
| Exact Mass | 317.035794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ALWHgI8Sl7 |
|---|---|
| Name | 1H-Isoindole-1,3(2H)-dione, 2-[[(4-methylphenyl)sulfonyl]oxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.035793627 u |
| Formula | C15H11NO5S |
| InChI | InChI=1S/C15H11NO5S/c1-10-6-8-11(9-7-10)22(19,20)21-16-14(17)12-4-2-3-5-13(12)15(16)18/h2-9H,1H3 |
| InChIKey | MMZCYVBYIOUFEO-UHFFFAOYSA-N |
| Molecular Weight | 317.315 g/mol |
| SMILES | C1(N(C(C=2C=CC=CC12)=O)OS(C=1C=CC(=CC1)C)(=O)=O)=O |