| SpectraBase Compound ID | 3StLPoxy7vK |
|---|---|
| InChI | InChI=1S/C9H6BrIO/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-6H/b9-8+ |
| InChIKey | ZKOMDKWMXRQBGK-CMDGGOBGSA-N |
| Mol Weight | 336.95 g/mol |
| Molecular Formula | C9H6BrIO |
| Exact Mass | 335.864673 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BQYuk0k6HJH |
|---|---|
| Name | (Z)-3-Bromo-3-iodo-2-phenylpropenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.864672812 u |
| Formula | C9H6BrIO |
| InChI | InChI=1S/C9H6BrIO/c10-9(11)8(6-12)7-4-2-1-3-5-7/h1-6H/b9-8+ |
| InChIKey | ZKOMDKWMXRQBGK-CMDGGOBGSA-N |
| Molecular Weight | 336.954 g/mol |
| SMILES | C=1(\C(=C\(I)Br)C=O)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948569 |