| SpectraBase Compound ID | ALwARiQZHU1 |
|---|---|
| InChI | InChI=1S/C11H14BrNO3S/c1-3-8-13(9(2)14)17(15,16)11-6-4-10(12)5-7-11/h4-7H,3,8H2,1-2H3 |
| InChIKey | MVNLTTMCPXIRAO-UHFFFAOYSA-N |
| Mol Weight | 320.2 g/mol |
| Molecular Formula | C11H14BrNO3S |
| Exact Mass | 318.987777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6sCuVZNdF09 |
|---|---|
| Name | 4-Bromo-N-propylbenzenesulfonamide, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.987777486 u |
| Formula | C11H14BrNO3S |
| InChI | InChI=1S/C11H14BrNO3S/c1-3-8-13(9(2)14)17(15,16)11-6-4-10(12)5-7-11/h4-7H,3,8H2,1-2H3 |
| InChIKey | MVNLTTMCPXIRAO-UHFFFAOYSA-N |
| Molecular Weight | 320.201 g/mol |
| SMILES | C(N(S(=O)(=O)C1=CC=C(C=C1)Br)C(C)=O)CC |