| SpectraBase Compound ID | 99ymlxE469W |
|---|---|
| InChI | InChI=1S/C4H6BrNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7) |
| InChIKey | GVPDRYJFYUWXQK-UHFFFAOYSA-N |
| Mol Weight | 164.0 g/mol |
| Molecular Formula | C4H6BrNO |
| Exact Mass | 162.963277 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6i30KvdLe2w |
|---|---|
| Name | 3-Bromo-2-pyrrolidinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.963276816 u |
| Formula | C4H6BrNO |
| InChI | InChI=1S/C4H6BrNO/c5-3-1-2-6-4(3)7/h3H,1-2H2,(H,6,7) |
| InChIKey | GVPDRYJFYUWXQK-UHFFFAOYSA-N |
| SMILES | N1C(C(CC1)Br)=O |
| Spectrum/Structure Validation Score (Raman) | 0.940088 |