| SpectraBase Compound ID | 9Inw9OFM6Vy |
|---|---|
| InChI | InChI=1S/C8H9IO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1 |
| InChIKey | KWUDBZIJCVKUHM-LURJTMIESA-N |
| Mol Weight | 248.06 g/mol |
| Molecular Formula | C8H9IO |
| Exact Mass | 247.96981 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gcf10BnhNVA |
|---|---|
| Name | (S)-1-(4-Iodophenyl)ethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.969809909 u |
| Formula | C8H9IO |
| InChI | InChI=1S/C8H9IO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3/t6-/m0/s1 |
| InChIKey | KWUDBZIJCVKUHM-LURJTMIESA-N |
| Molecular Weight | 248.063 g/mol |
| SMILES | [C@@](C)(C1=CC=C(C=C1)I)(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839414 |