![1-[(2-Nitrophenyl)sulfonyl]piperazine, 1ac derivative](/api/spectrum/5hMIlPw81SR/structure.png?h=300&w=458 "1-[(2-Nitrophenyl)sulfonyl]piperazine, 1ac derivative")
| SpectraBase Compound ID | AO2L9hhq24s |
|---|---|
| InChI | InChI=1S/C12H15N3O5S/c1-10(16)13-6-8-14(9-7-13)21(19,20)12-5-3-2-4-11(12)15(17)18/h2-5H,6-9H2,1H3 |
| InChIKey | YGPQAXNCYXKVES-UHFFFAOYSA-N |
| Mol Weight | 313.33 g/mol |
| Molecular Formula | C12H15N3O5S |
| Exact Mass | 313.073242 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5hMIlPw81SR |
|---|---|
| Name | 1-[(2-Nitrophenyl)sulfonyl]piperazine, 1ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.073241764 u |
| Formula | C12H15N3O5S |
| InChI | InChI=1S/C12H15N3O5S/c1-10(16)13-6-8-14(9-7-13)21(19,20)12-5-3-2-4-11(12)15(17)18/h2-5H,6-9H2,1H3 |
| InChIKey | YGPQAXNCYXKVES-UHFFFAOYSA-N |
| Molecular Weight | 313.328 g/mol |
| SMILES | C1N(S(=O)(=O)C2=C(C=CC=C2)N(=O)=O)CCN(C1)C(C)=O |