| SpectraBase Compound ID | ItE2usygpyx |
|---|---|
| InChI | InChI=1S/C9H7I/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-8H |
| InChIKey | ORWHSKHOVWZHEH-UHFFFAOYSA-N |
| Mol Weight | 242.06 g/mol |
| Molecular Formula | C9H7I |
| Exact Mass | 241.959245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6jXcLvHkBpA |
|---|---|
| Name | (3-Iodo-1,2-propadienyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.959245225 u |
| Formula | C9H7I |
| InChI | InChI=1S/C9H7I/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-8H |
| InChIKey | ORWHSKHOVWZHEH-UHFFFAOYSA-N |
| Molecular Weight | 242.059 g/mol |
| SMILES | C(=C=CC=1C=CC=CC1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831573 |