| SpectraBase Compound ID | HHZIH0qMOPk |
|---|---|
| InChI | InChI=1S/C7H6F3NO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2 |
| InChIKey | BHTKIYIEMXRHGL-UHFFFAOYSA-N |
| Mol Weight | 177.13 g/mol |
| Molecular Formula | C7H6F3NO |
| Exact Mass | 177.040148 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5MwLxl110V6 |
|---|---|
| Name | 2-Amino-4-(trifluoromethyl)phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.040148305 u |
| Formula | C7H6F3NO |
| InChI | InChI=1S/C7H6F3NO/c8-7(9,10)4-1-2-6(12)5(11)3-4/h1-3,12H,11H2 |
| InChIKey | BHTKIYIEMXRHGL-UHFFFAOYSA-N |
| Molecular Weight | 177.126 g/mol |
| SMILES | C1=C(C=CC(=C1N)O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96409 |