| SpectraBase Compound ID | 9ZpbshQrl7I |
|---|---|
| InChI | InChI=1S/C13H12BrNO2S/c1-15(12-5-3-2-4-6-12)18(16,17)13-9-7-11(14)8-10-13/h2-10H,1H3 |
| InChIKey | VAKOAGKCNQSYBA-UHFFFAOYSA-N |
| Mol Weight | 326.21 g/mol |
| Molecular Formula | C13H12BrNO2S |
| Exact Mass | 324.977213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Zl43Gfud9s |
|---|---|
| Name | 4-Bromo-N-methyl-N-phenylbenzenesulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.977212802 u |
| Formula | C13H12BrNO2S |
| InChI | InChI=1S/C13H12BrNO2S/c1-15(12-5-3-2-4-6-12)18(16,17)13-9-7-11(14)8-10-13/h2-10H,1H3 |
| InChIKey | VAKOAGKCNQSYBA-UHFFFAOYSA-N |
| Molecular Weight | 326.208 g/mol |
| SMILES | C1(S(N(C2=CC=CC=C2)C)(=O)=O)=CC=C(C=C1)Br |