| SpectraBase Compound ID | 1GYZG6dd2a1 |
|---|---|
| InChI | InChI=1S/C9H9I/c1-8-4-2-3-5-9(8)6-7-10/h2-7H,1H3/b7-6- |
| InChIKey | XAXCXZDGMXTLKH-SREVYHEPSA-N |
| Mol Weight | 244.08 g/mol |
| Molecular Formula | C9H9I |
| Exact Mass | 243.974895 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A3GugWFsmC5 |
|---|---|
| Name | (E,Z)-2-(2-Methylphenyl)-1-iodo-1-ethene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.974895290 u |
| Formula | C9H9I |
| InChI | InChI=1S/C9H9I/c1-8-4-2-3-5-9(8)6-7-10/h2-7H,1H3/b7-6- |
| InChIKey | XAXCXZDGMXTLKH-SREVYHEPSA-N |
| Molecular Weight | 244.075 g/mol |
| SMILES | C=1(\C=C/I)C(C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899497 |