| SpectraBase Compound ID | 9NGgHjY1BpT |
|---|---|
| InChI | InChI=1S/C8H7I/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2 |
| InChIKey | PSIKFNDJOGHVHP-UHFFFAOYSA-N |
| Mol Weight | 230.05 g/mol |
| Molecular Formula | C8H7I |
| Exact Mass | 229.959245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4SHzEJdaS1T |
|---|---|
| Name | 1-Ethenyl-2-iodanyl-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.959245225 u |
| Formula | C8H7I |
| InChI | InChI=1S/C8H7I/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2 |
| InChIKey | PSIKFNDJOGHVHP-UHFFFAOYSA-N |
| Molecular Weight | 230.048 g/mol |
| SMILES | C=1(C(=CC=CC1)C=C)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.883343 |