| SpectraBase Compound ID | G0w85CNQ7It |
|---|---|
| InChI | InChI=1S/C5H8BrNO/c1-7-3-2-4(6)5(7)8/h4H,2-3H2,1H3 |
| InChIKey | NFFDSZJZQBYUKM-UHFFFAOYSA-N |
| Mol Weight | 178.03 g/mol |
| Molecular Formula | C5H8BrNO |
| Exact Mass | 176.978927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9NoledQc7Au |
|---|---|
| Name | 3-Bromo-1-methylpyrrolidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.978926881 u |
| Formula | C5H8BrNO |
| InChI | InChI=1S/C5H8BrNO/c1-7-3-2-4(6)5(7)8/h4H,2-3H2,1H3 |
| InChIKey | NFFDSZJZQBYUKM-UHFFFAOYSA-N |
| Molecular Weight | 178.029 g/mol |
| SMILES | CN1CCC(C1=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.844055 |