| SpectraBase Compound ID | 1Hqo2tFbpcs |
|---|---|
| InChI | InChI=1S/C8H14I2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3/b8-7+ |
| InChIKey | OTQUMIYBWVXKHQ-BQYQJAHWSA-N |
| Mol Weight | 364.01 g/mol |
| Molecular Formula | C8H14I2 |
| Exact Mass | 363.91849 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D1cvJjexlW0 |
|---|---|
| Name | (E)-4,5-Diiodo-4-octene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.918490451 u |
| Formula | C8H14I2 |
| InChI | InChI=1S/C8H14I2/c1-3-5-7(9)8(10)6-4-2/h3-6H2,1-2H3/b8-7+ |
| InChIKey | OTQUMIYBWVXKHQ-BQYQJAHWSA-N |
| Molecular Weight | 364.009 g/mol |
| SMILES | CCC\C(=C\(CCC)I)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926735 |