| SpectraBase Compound ID | E5wgmDbAtR6 |
|---|---|
| InChI | InChI=1S/C8H7IO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2 |
| InChIKey | ZMOIBLKIUKDUFP-UHFFFAOYSA-N |
| Mol Weight | 246.05 g/mol |
| Molecular Formula | C8H7IO |
| Exact Mass | 245.95416 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DMMLCJjKTtQ |
|---|---|
| Name | 2-(2-Iodophenyl)acetaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.954159844 u |
| Formula | C8H7IO |
| InChI | InChI=1S/C8H7IO/c9-8-4-2-1-3-7(8)5-6-10/h1-4,6H,5H2 |
| InChIKey | ZMOIBLKIUKDUFP-UHFFFAOYSA-N |
| Molecular Weight | 246.047 g/mol |
| SMILES | C(=O)CC1=CC=CC=C1I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.870088 |