| SpectraBase Compound ID | AQ80ysiO3Kw |
|---|---|
| InChI | InChI=1S/C6H9BrO2/c1-4-2-5(3-7)9-6(4)8/h4-5H,2-3H2,1H3 |
| InChIKey | COGOCUIUPCRFDG-UHFFFAOYSA-N |
| Mol Weight | 193.04 g/mol |
| Molecular Formula | C6H9BrO2 |
| Exact Mass | 191.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5qTQtuuCUa1 |
|---|---|
| Name | Trans-2-methyl-4-bromomethyl-4-butyrolactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.978592528 u |
| Formula | C6H9BrO2 |
| InChI | InChI=1S/C6H9BrO2/c1-4-2-5(3-7)9-6(4)8/h4-5H,2-3H2,1H3 |
| InChIKey | COGOCUIUPCRFDG-UHFFFAOYSA-N |
| Molecular Weight | 193.040 g/mol |
| SMILES | C1(C(CC(CBr)O1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.849203 |