| SpectraBase Compound ID | BRAtZsxoSX8 |
|---|---|
| InChI | InChI=1S/C14H9BrO2/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-9H |
| InChIKey | PRDRFZPDWFJEHR-UHFFFAOYSA-N |
| Mol Weight | 289.13 g/mol |
| Molecular Formula | C14H9BrO2 |
| Exact Mass | 287.978593 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H517J917xLj |
|---|---|
| Name | 4-(3-Bromobenzoyl)benzaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.978592528 u |
| Formula | C14H9BrO2 |
| InChI | InChI=1S/C14H9BrO2/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-9H |
| InChIKey | PRDRFZPDWFJEHR-UHFFFAOYSA-N |
| SMILES | C(C=1C=CC(=CC1)C(C=1C=C(C=CC1)Br)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.853795 |