![(3E)-3-[2-(3-bromophenyl)-2-oxoethylidene]-2-piperazinone](/api/spectrum/8iF1xL7tYDp/structure.png?h=300&w=458 "(3E)-3-[2-(3-bromophenyl)-2-oxoethylidene]-2-piperazinone")
| SpectraBase Compound ID | Ix3UMg6bweX |
|---|---|
| InChI | InChI=1S/C12H11BrN2O2/c13-9-3-1-2-8(6-9)11(16)7-10-12(17)15-5-4-14-10/h1-3,6-7,14H,4-5H2,(H,15,17)/b10-7+ |
| InChIKey | KVMINGMDYPNFMX-JXMROGBWSA-N |
| Mol Weight | 295.14 g/mol |
| Molecular Formula | C12H11BrN2O2 |
| Exact Mass | 294.000391 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8iF1xL7tYDp |
|---|---|
| Name | (3E)-3-[2-(3-Bromophenyl)-2-oxoethylidene]-2-piperazinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.000390600 u |
| Formula | C12H11BrN2O2 |
| InChI | InChI=1S/C12H11BrN2O2/c13-9-3-1-2-8(6-9)11(16)7-10-12(17)15-5-4-14-10/h1-3,6-7,14H,4-5H2,(H,15,17)/b10-7+ |
| InChIKey | KVMINGMDYPNFMX-JXMROGBWSA-N |
| Molecular Weight | 295.136 g/mol |
| SMILES | N1CCN\C(=C\C(C=2C=C(Br)C=CC2)=O)C1=O |