| SpectraBase Compound ID | 9Ed535eObzJ |
|---|---|
| InChI | InChI=1S/C8H8FIO/c1-11-5-6-2-3-8(10)7(9)4-6/h2-4H,5H2,1H3 |
| InChIKey | PTMUJQCUAUGRNT-UHFFFAOYSA-N |
| Mol Weight | 266.05 g/mol |
| Molecular Formula | C8H8FIO |
| Exact Mass | 265.960388 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5dSasuxYnZE |
|---|---|
| Name | Benzenemethanol, 3-fluoro-4-iodo-, methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.960388040 u |
| Formula | C8H8FIO |
| InChI | InChI=1S/C8H8FIO/c1-11-5-6-2-3-8(10)7(9)4-6/h2-4H,5H2,1H3 |
| InChIKey | PTMUJQCUAUGRNT-UHFFFAOYSA-N |
| Molecular Weight | 266.054 g/mol |
| SMILES | C1(I)=C(C=C(C=C1)COC)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854386 |