![7-Chloroso-4-[4-nitroso-1-piperazinyl]quinoline](/api/spectrum/20aEVFGbg7n/structure.png?h=300&w=458 "7-Chloroso-4-[4-nitroso-1-piperazinyl]quinoline")
| SpectraBase Compound ID | 3BVdUVj1YMm |
|---|---|
| InChI | InChI=1S/C13H13ClN4O/c14-10-1-2-11-12(9-10)15-4-3-13(11)17-5-7-18(16-19)8-6-17/h1-4,9H,5-8H2 |
| InChIKey | XFVJAQYDBDVTBK-UHFFFAOYSA-N |
| Mol Weight | 276.73 g/mol |
| Molecular Formula | C13H13ClN4O |
| Exact Mass | 276.077789 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20aEVFGbg7n |
|---|---|
| Name | 7-Chloroso-4-[4-nitroso-1-piperazinyl]quinoline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.077788754 u |
| Formula | C13H13ClN4O |
| InChI | InChI=1S/C13H13ClN4O/c14-10-1-2-11-12(9-10)15-4-3-13(11)17-5-7-18(16-19)8-6-17/h1-4,9H,5-8H2 |
| InChIKey | XFVJAQYDBDVTBK-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC=C(C2)Cl)C(=CC=N1)N1CCN(CC1)N=O |