| SpectraBase Compound ID | JhM0XmF2uC0 |
|---|---|
| InChI | InChI=1S/C6H7IO/c1-6(5-8)3-2-4-7/h2-5H,1H3/b4-2+,6-3+ |
| InChIKey | UUMVFKCLJQZPPZ-PIXFVPMGSA-N |
| Mol Weight | 222.03 g/mol |
| Molecular Formula | C6H7IO |
| Exact Mass | 221.95416 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EaL6vEFARCB |
|---|---|
| Name | (2E,4E)-5-Iodo-2-methylpenta-2,4-dien-1-al |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.954159844 u |
| Formula | C6H7IO |
| InChI | InChI=1S/C6H7IO/c1-6(5-8)3-2-4-7/h2-5H,1H3/b4-2+,6-3+ |
| InChIKey | UUMVFKCLJQZPPZ-PIXFVPMGSA-N |
| Molecular Weight | 222.025 g/mol |
| SMILES | C(\C(=C\C=C\I)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927353 |