| SpectraBase Compound ID | AdlauXA5bJA |
|---|---|
| InChI | InChI=1S/C6H10BrNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2 |
| InChIKey | BVAQGSLQZNUFHQ-UHFFFAOYSA-N |
| Mol Weight | 192.06 g/mol |
| Molecular Formula | C6H10BrNO |
| Exact Mass | 190.994577 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2NO44oA414m |
|---|---|
| Name | 1-(2-Bromoethyl)pyrrolidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.994576945 u |
| Formula | C6H10BrNO |
| InChI | InChI=1S/C6H10BrNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2 |
| InChIKey | BVAQGSLQZNUFHQ-UHFFFAOYSA-N |
| Molecular Weight | 192.056 g/mol |
| SMILES | C1(CCCN1CCBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97237 |