| SpectraBase Compound ID | 5YqOfSMmmcK |
|---|---|
| InChI | InChI=1S/C13H12BrNO2S/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,1H3 |
| InChIKey | LXYIGOWLNMDTGQ-UHFFFAOYSA-N |
| Mol Weight | 326.21 g/mol |
| Molecular Formula | C13H12BrNO2S |
| Exact Mass | 324.977213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6o5sE2vo7WI |
|---|---|
| Name | (4-Bromobenzenesulfon)-o-toluide |
| 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/c1-10-4-2-3-5-13(10)15-18(16,17)12-8-6-11(14)7-9-12/h2-9,15H,1H3 |
| InChIKey | LXYIGOWLNMDTGQ-UHFFFAOYSA-N |
| Molecular Weight | 326.208 g/mol |
| SMILES | C1=C(C=CC(=C1)Br)S(=O)(=O)NC=1C(C)=CC=CC1 |