| SpectraBase Compound ID | E5BrSrRsYGX |
|---|---|
| InChI | InChI=1S/C8H7BrO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5H2 |
| InChIKey | XYPVBKDHERGKJG-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 | BsZFZ19BtpG |
|---|---|
| Name | p-Bromomethylbenzaldehyde |
| 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/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H,5H2 |
| InChIKey | XYPVBKDHERGKJG-UHFFFAOYSA-N |
| Molecular Weight | 199.047 g/mol |
| SMILES | C(C=1C=CC(=CC1)CBr)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93227 |