| SpectraBase Compound ID | 8bKgnp03G9o |
|---|---|
| InChI | InChI=1S/C13H12N2O4S/c1-10-3-2-4-11(9-10)14-20(18,19)13-7-5-12(6-8-13)15(16)17/h2-9,14H,1H3 |
| InChIKey | KWOATKLHXVTQIG-UHFFFAOYSA-N |
| Mol Weight | 292.31 g/mol |
| Molecular Formula | C13H12N2O4S |
| Exact Mass | 292.051778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNlPUMYjwiY |
|---|---|
| Name | N-Nosyl-m-toluidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.051778044 u |
| Formula | C13H12N2O4S |
| InChI | InChI=1S/C13H12N2O4S/c1-10-3-2-4-11(9-10)14-20(18,19)13-7-5-12(6-8-13)15(16)17/h2-9,14H,1H3 |
| InChIKey | KWOATKLHXVTQIG-UHFFFAOYSA-N |
| SMILES | C1(NS(C=2C=CC(N(=O)=O)=CC2)(=O)=O)=CC(C)=CC=C1 |