| SpectraBase Compound ID | 8SfHWClkGyS |
|---|---|
| InChI | InChI=1S/C13H22N4O4S/c14-8-1-2-9-15-10-3-11-16-22(20,21)13-6-4-12(5-7-13)17(18)19/h4-7,15-16H,1-3,8-11,14H2 |
| InChIKey | KKYUDTUMXRVEAV-UHFFFAOYSA-N |
| Mol Weight | 330.4 g/mol |
| Molecular Formula | C13H22N4O4S |
| Exact Mass | 330.136176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WDltpWlGpN |
|---|---|
| Name | N-(4,9-Diazanonyl)-4-nitrophenylsulfonamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.136176374 u |
| Formula | C13H22N4O4S |
| InChI | InChI=1S/C13H22N4O4S/c14-8-1-2-9-15-10-3-11-16-22(20,21)13-6-4-12(5-7-13)17(18)19/h4-7,15-16H,1-3,8-11,14H2 |
| InChIKey | KKYUDTUMXRVEAV-UHFFFAOYSA-N |
| Molecular Weight | 330.403 g/mol |
| SMILES | C1=C(C=CC(=C1)N(=O)=O)S(NCCCNCCCCN)(=O)=O |