| SpectraBase Compound ID | 5DhqShOjGO1 |
|---|---|
| InChI | InChI=1S/C9H7IO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,7H2 |
| InChIKey | DQNUSYKAAOXIGT-UHFFFAOYSA-N |
| Mol Weight | 258.06 g/mol |
| Molecular Formula | C9H7IO |
| Exact Mass | 257.95416 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IgwZp5GHUeG |
|---|---|
| Name | 3-(2-Iodophenyl)-2-propyn-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.954159844 u |
| Formula | C9H7IO |
| InChI | InChI=1S/C9H7IO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-2,4,6,11H,7H2 |
| InChIKey | DQNUSYKAAOXIGT-UHFFFAOYSA-N |
| Molecular Weight | 258.058 g/mol |
| SMILES | OCC#Cc1c(cccc1)I |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876579 |