| SpectraBase Compound ID | HzEA8ZKOhdF |
|---|---|
| InChI | InChI=1S/C14H17BrN2O3/c15-10-3-5-11(6-4-10)17-13(19)9-12(14(17)20)16-7-1-2-8-18/h3-6,12,16,18H,1-2,7-9H2 |
| InChIKey | JGYDDAGSNQVQGL-UHFFFAOYSA-N |
| Mol Weight | 341.21 g/mol |
| Molecular Formula | C14H17BrN2O3 |
| Exact Mass | 340.042255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1QE3aLzpbmn |
|---|---|
| Name | 1-(4-Bromo-phenyl)-3-(4-hydroxy-butylamino)-pyrrolidine-2,5-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.042255412 u |
| Formula | C14H17BrN2O3 |
| InChI | InChI=1S/C14H17BrN2O3/c15-10-3-5-11(6-4-10)17-13(19)9-12(14(17)20)16-7-1-2-8-18/h3-6,12,16,18H,1-2,7-9H2 |
| InChIKey | JGYDDAGSNQVQGL-UHFFFAOYSA-N |
| Molecular Weight | 341.205 g/mol |
| SMILES | C(CO)CCNC1CC(N(C1=O)C1=CC=C(C=C1)Br)=O |