| SpectraBase Compound ID | F2QKIw8XRBF |
|---|---|
| InChI | InChI=1S/C5H5BrO2/c6-3-4-1-2-5(7)8-4/h3H,1-2H2/b4-3- |
| InChIKey | RJKPOGXUGUMJET-ARJAWSKDSA-N |
| Mol Weight | 177.0 g/mol |
| Molecular Formula | C5H5BrO2 |
| Exact Mass | 175.947292 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IJuXApWUeGg |
|---|---|
| Name | 2(3H)-Furanone, 5-(bromomethylene)dihydro-, (Z)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.947292399 u |
| Formula | C5H5BrO2 |
| InChI | InChI=1S/C5H5BrO2/c6-3-4-1-2-5(7)8-4/h3H,1-2H2/b4-3- |
| InChIKey | RJKPOGXUGUMJET-ARJAWSKDSA-N |
| Molecular Weight | 176.997 g/mol |
| SMILES | C1(O\C(CC1)=C\Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986491 |