| SpectraBase Compound ID | Ls1RBobVbgI |
|---|---|
| InChI | InChI=1S/C6H10BrNO/c1-8-5(4-7)2-3-6(8)9/h5H,2-4H2,1H3 |
| InChIKey | JUPATYQJRQJNSF-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 | CCVJCPn8ivt |
|---|---|
| Name | .alpha.-Pyrrolidone, N-methyl-5-bromomethyl- |
| 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/c1-8-5(4-7)2-3-6(8)9/h5H,2-4H2,1H3 |
| InChIKey | JUPATYQJRQJNSF-UHFFFAOYSA-N |
| Molecular Weight | 192.056 g/mol |
| SMILES | C1(N(C(CC1)CBr)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949485 |