| SpectraBase Compound ID | 1TLmATjU3qV |
|---|---|
| InChI | InChI=1S/C6H9I/c1-2-3-4-5-6-7/h2-4H,1,5-6H2/b4-3+ |
| InChIKey | HFEAYEJOKMFREP-ONEGZZNKSA-N |
| Mol Weight | 208.04 g/mol |
| Molecular Formula | C6H9I |
| Exact Mass | 207.974895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KTnm9AcQM5Q |
|---|---|
| Name | (3E)-6-Iodanylhexa-1,3-diene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.974895290 u |
| Formula | C6H9I |
| InChI | InChI=1S/C6H9I/c1-2-3-4-5-6-7/h2-4H,1,5-6H2/b4-3+ |
| InChIKey | HFEAYEJOKMFREP-ONEGZZNKSA-N |
| Molecular Weight | 208.042 g/mol |
| SMILES | C(\C=C\CCI)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9292 |