| SpectraBase Compound ID | I8BXKnWGl0r |
|---|---|
| InChI | InChI=1S/C7H7NO3S2/c1-6-2-4-7(5-3-6)13(10,11)8-12-9/h2-5H,1H3 |
| InChIKey | VKTSIMMJOIPMGE-UHFFFAOYSA-N |
| Mol Weight | 217.26 g/mol |
| Molecular Formula | C7H7NO3S2 |
| Exact Mass | 216.986735 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6O4v66x9si3 |
|---|---|
| Name | N-Sulfinyl-p-toluenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.986735434 u |
| Formula | C7H7NO3S2 |
| InChI | InChI=1S/C7H7NO3S2/c1-6-2-4-7(5-3-6)13(10,11)8-12-9/h2-5H,1H3 |
| InChIKey | VKTSIMMJOIPMGE-UHFFFAOYSA-N |
| Molecular Weight | 217.257 g/mol |
| SMILES | C1(S(=O)(=O)N=S=O)=CC=C(C=C1)C |