| SpectraBase Compound ID | XucMQYxf8t |
|---|---|
| InChI | InChI=1S/C12H15N3O3/c1-10(16)13-5-7-14(8-6-13)11-3-2-4-12(9-11)15(17)18/h2-4,9H,5-8H2,1H3 |
| InChIKey | ZEVQFEXNVZZJNM-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 | 4jqjLRYgCP1 |
|---|---|
| Name | 1-(3-Nitrophenyl)piperazine, N-acetyl- |
| 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/c1-10(16)13-5-7-14(8-6-13)11-3-2-4-12(9-11)15(17)18/h2-4,9H,5-8H2,1H3 |
| InChIKey | ZEVQFEXNVZZJNM-UHFFFAOYSA-N |
| Molecular Weight | 249.270 g/mol |
| SMILES | C1(N(=O)=O)=CC(=CC=C1)N1CCN(CC1)C(C)=O |