| SpectraBase Compound ID | IvhT2PyriCj |
|---|---|
| InChI | InChI=1S/C7H4F3IO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H |
| InChIKey | MRDCXUYQUSFQKF-UHFFFAOYSA-N |
| Mol Weight | 288.01 g/mol |
| Molecular Formula | C7H4F3IO |
| Exact Mass | 287.925894 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8m7wiQzjsKl |
|---|---|
| Name | 2-Iodo-4-(trifluoromethyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.925894237 u |
| Formula | C7H4F3IO |
| InChI | InChI=1S/C7H4F3IO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H |
| InChIKey | MRDCXUYQUSFQKF-UHFFFAOYSA-N |
| Molecular Weight | 288.008 g/mol |
| SMILES | C1(I)=C(C=CC(=C1)C(F)(F)F)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9579 |