![4-Aminosulfonylbenzenamine, N-[6-bromo-N-hexanoyl]-](/api/spectrum/6SO2ZbyDTcz/structure.png?h=300&w=458 "4-Aminosulfonylbenzenamine, N-[6-bromo-N-hexanoyl]-")
| SpectraBase Compound ID | FTAH3lhCXw3 |
|---|---|
| InChI | InChI=1S/C12H17BrN2O3S/c13-9-3-1-2-4-12(16)15-10-5-7-11(8-6-10)19(14,17)18/h5-8H,1-4,9H2,(H,15,16)(H2,14,17,18) |
| InChIKey | DJKDBHBYAXPMPG-UHFFFAOYSA-N |
| Mol Weight | 349.24 g/mol |
| Molecular Formula | C12H17BrN2O3S |
| Exact Mass | 348.014327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6SO2ZbyDTcz |
|---|---|
| Name | 4-Aminosulfonylbenzenamine, N-[6-bromo-N-hexanoyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.014326586 u |
| Formula | C12H17BrN2O3S |
| InChI | InChI=1S/C12H17BrN2O3S/c13-9-3-1-2-4-12(16)15-10-5-7-11(8-6-10)19(14,17)18/h5-8H,1-4,9H2,(H,15,16)(H2,14,17,18) |
| InChIKey | DJKDBHBYAXPMPG-UHFFFAOYSA-N |
| Molecular Weight | 349.243 g/mol |
| SMILES | C1=C(C=CC(=C1)S(=O)(=O)N)NC(=O)CCCCCBr |