| SpectraBase Compound ID | 9R3PtuwvMbu |
|---|---|
| InChI | InChI=1S/C7H9I/c1-2-3-4-5-6-7-8/h6-7H,4-5H2,1H3/b7-6+ |
| InChIKey | PXVJOCBFQOHTCE-VOTSOKGWSA-N |
| Mol Weight | 220.05 g/mol |
| Molecular Formula | C7H9I |
| Exact Mass | 219.974895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KRRugTNuOEg |
|---|---|
| Name | (E)-1-Iodohept-1-en-5-yne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.974895290 u |
| Formula | C7H9I |
| InChI | InChI=1S/C7H9I/c1-2-3-4-5-6-7-8/h6-7H,4-5H2,1H3/b7-6+ |
| InChIKey | PXVJOCBFQOHTCE-VOTSOKGWSA-N |
| Molecular Weight | 220.053 g/mol |
| SMILES | C(\C=C\I)CC#CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924744 |