| SpectraBase Compound ID | KCTxcGgVCTO |
|---|---|
| InChI | InChI=1S/C7H11I/c1-2-3-4-5-6-7-8/h2-4H,1,5-7H2/b4-3+ |
| InChIKey | CSHBGYDHOHOAJV-ONEGZZNKSA-N |
| Mol Weight | 222.07 g/mol |
| Molecular Formula | C7H11I |
| Exact Mass | 221.990545 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5fSd9JBwQ5d |
|---|---|
| Name | (E,E)-1-Iodohepta-4,6-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.990545354 u |
| Formula | C7H11I |
| InChI | InChI=1S/C7H11I/c1-2-3-4-5-6-7-8/h2-4H,1,5-7H2/b4-3+ |
| InChIKey | CSHBGYDHOHOAJV-ONEGZZNKSA-N |
| Molecular Weight | 222.069 g/mol |
| SMILES | C(I)CC\C=C\C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917714 |