| SpectraBase Compound ID | L0BdL7hPyQC |
|---|---|
| InChI | InChI=1S/C10H9BrO/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,1,7H2 |
| InChIKey | APSDZMSEUIDLAX-UHFFFAOYSA-N |
| Mol Weight | 225.08 g/mol |
| Molecular Formula | C10H9BrO |
| Exact Mass | 223.983678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5fVCZYro69x |
|---|---|
| Name | 3-Bromo-1-phenyl-3-buten-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.983677909 u |
| Formula | C10H9BrO |
| InChI | InChI=1S/C10H9BrO/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-6H,1,7H2 |
| InChIKey | APSDZMSEUIDLAX-UHFFFAOYSA-N |
| Molecular Weight | 225.085 g/mol |
| SMILES | C(CC(=C)Br)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96155 |