![1-[3-Nitro-4-(piperazin-1-yl)phenyl]ethanone](/api/spectrum/52tsiBO7Vpl/structure.png?h=300&w=458 "1-[3-Nitro-4-(piperazin-1-yl)phenyl]ethanone")
| SpectraBase Compound ID | 7CqUO2LYjnr |
|---|---|
| InChI | InChI=1S/C12H15N3O3/c1-9(16)10-2-3-11(12(8-10)15(17)18)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3 |
| InChIKey | GHEDOFZBDHZHEP-UHFFFAOYSA-N |
| Mol Weight | 249.27 g/mol |
| Molecular Formula | C12H15N3O3 |
| Exact Mass | 249.111341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52tsiBO7Vpl |
|---|---|
| Name | 1-[3-Nitro-4-(piperazin-1-yl)phenyl]ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.111341352 u |
| Formula | C12H15N3O3 |
| InChI | InChI=1S/C12H15N3O3/c1-9(16)10-2-3-11(12(8-10)15(17)18)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3 |
| InChIKey | GHEDOFZBDHZHEP-UHFFFAOYSA-N |
| Molecular Weight | 249.270 g/mol |
| SMILES | CC(=O)C1=CC=C(N2CCNCC2)C(=C1)N(=O)=O |