![N-[3-Bromopropyl]-p-toluenesulfonanilide](/api/spectrum/DtKsNNKNSDd/structure.png?h=300&w=458 "N-[3-Bromopropyl]-p-toluenesulfonanilide")
| SpectraBase Compound ID | DTM97EGX4eU |
|---|---|
| InChI | InChI=1S/C16H18BrNO2S/c1-14-8-10-16(11-9-14)21(19,20)18(13-5-12-17)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3 |
| InChIKey | MPNVXJNVUADUDJ-UHFFFAOYSA-N |
| Mol Weight | 368.29 g/mol |
| Molecular Formula | C16H18BrNO2S |
| Exact Mass | 367.024163 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DtKsNNKNSDd |
|---|---|
| Name | N-[3-Bromopropyl]-p-toluenesulfonanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.024162996 u |
| Formula | C16H18BrNO2S |
| InChI | InChI=1S/C16H18BrNO2S/c1-14-8-10-16(11-9-14)21(19,20)18(13-5-12-17)15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3 |
| InChIKey | MPNVXJNVUADUDJ-UHFFFAOYSA-N |
| Molecular Weight | 368.289 g/mol |
| SMILES | C(Br)CCN(C1=CC=CC=C1)S(C1=CC=C(C=C1)C)(=O)=O |