| SpectraBase Compound ID | 5R7QYuO2GkP |
|---|---|
| InChI | InChI=1S/C12H16N2O4S/c15-14(16)11-5-7-12(8-6-11)19(17,18)13-9-3-1-2-4-10-13/h5-8H,1-4,9-10H2 |
| InChIKey | QMOYHHIPLJSTFQ-UHFFFAOYSA-N |
| Mol Weight | 284.33 g/mol |
| Molecular Formula | C12H16N2O4S |
| Exact Mass | 284.083078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8agVwYmYmBs |
|---|---|
| Name | 1-(4-Nitrophenyl)sulfonylazepane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.083078173 u |
| Formula | C12H16N2O4S |
| InChI | InChI=1S/C12H16N2O4S/c15-14(16)11-5-7-12(8-6-11)19(17,18)13-9-3-1-2-4-10-13/h5-8H,1-4,9-10H2 |
| InChIKey | QMOYHHIPLJSTFQ-UHFFFAOYSA-N |
| SMILES | C=1(C=CC(=CC1)N(=O)=O)S(=O)(=O)N1CCCCCC1 |