| SpectraBase Compound ID | IZot1tOLxgI |
|---|---|
| InChI | InChI=1S/C6H9BrO2/c1-4-5(2-7)3-9-6(4)8/h4-5H,2-3H2,1H3 |
| InChIKey | RBGDYFNIRSBWES-UHFFFAOYSA-N |
| Mol Weight | 193.04 g/mol |
| Molecular Formula | C6H9BrO2 |
| Exact Mass | 191.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AOeXFUmD7Lv |
|---|---|
| Name | 3-(Bromomethyl)-2-methylbutyrolactone |
| 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/c1-4-5(2-7)3-9-6(4)8/h4-5H,2-3H2,1H3 |
| InChIKey | RBGDYFNIRSBWES-UHFFFAOYSA-N |
| Molecular Weight | 193.040 g/mol |
| SMILES | C1(OCC(C1C)CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946373 |