| SpectraBase Compound ID | IzmzcVkm0L1 |
|---|---|
| InChI | InChI=1S/C5H6Br2O/c6-4-1-2-5(4,7)3-8/h3-4H,1-2H2 |
| InChIKey | ANFQDDHZRDVUCY-UHFFFAOYSA-N |
| Mol Weight | 241.91 g/mol |
| Molecular Formula | C5H6Br2O |
| Exact Mass | 239.878541 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F3GpB1Q3PHf |
|---|---|
| Name | 1,2-Dibromocyclobutanecarboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 239.878540812 u |
| Formula | C5H6Br2O |
| InChI | InChI=1S/C5H6Br2O/c6-4-1-2-5(4,7)3-8/h3-4H,1-2H2 |
| InChIKey | ANFQDDHZRDVUCY-UHFFFAOYSA-N |
| Molecular Weight | 241.910 g/mol |
| SMILES | C1(Br)CCC1(Br)C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802925 |