| SpectraBase Compound ID | 35rYrpr9N91 |
|---|---|
| InChI | InChI=1S/C9H9IO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6+ |
| InChIKey | NDHPETXOHBRVSL-RMKNXTFCSA-N |
| Mol Weight | 260.07 g/mol |
| Molecular Formula | C9H9IO |
| Exact Mass | 259.96981 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4elRP2zHWrc |
|---|---|
| Name | 2-Propen-1-ol, 2-iodo-3-phenyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.969809909 u |
| Formula | C9H9IO |
| InChI | InChI=1S/C9H9IO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-6,11H,7H2/b9-6+ |
| InChIKey | NDHPETXOHBRVSL-RMKNXTFCSA-N |
| Molecular Weight | 260.074 g/mol |
| SMILES | C(\C(=C/C1=CC=CC=C1)I)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814414 |