| SpectraBase Compound ID | DloVwkg7WOV |
|---|---|
| InChI | InChI=1S/C8H7BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,5-6H,4H2 |
| InChIKey | GQPCWVVXGHFKQY-UHFFFAOYSA-N |
| Mol Weight | 199.05 g/mol |
| Molecular Formula | C8H7BrO |
| Exact Mass | 197.968028 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2gQCuRaU1WD |
|---|---|
| Name | 2-(3-Bromophenyl)acetaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.968027844 u |
| Formula | C8H7BrO |
| InChI | InChI=1S/C8H7BrO/c9-8-3-1-2-7(6-8)4-5-10/h1-3,5-6H,4H2 |
| InChIKey | GQPCWVVXGHFKQY-UHFFFAOYSA-N |
| Molecular Weight | 199.047 g/mol |
| SMILES | C=1C=C(CC=O)C=C(C1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919357 |