| SpectraBase Compound ID | IqRtSGqTg2W |
|---|---|
| InChI | InChI=1S/C7H5ClF3NO/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3H,12H2 |
| InChIKey | BRHNMISYMABKDU-UHFFFAOYSA-N |
| Mol Weight | 211.57 g/mol |
| Molecular Formula | C7H5ClF3NO |
| Exact Mass | 211.001176 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6ZjEsvs365y |
|---|---|
| Name | 2-Chloro-5-(trifluoromethoxy)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.001175973 u |
| Formula | C7H5ClF3NO |
| InChI | InChI=1S/C7H5ClF3NO/c8-5-2-1-4(3-6(5)12)13-7(9,10)11/h1-3H,12H2 |
| InChIKey | BRHNMISYMABKDU-UHFFFAOYSA-N |
| Molecular Weight | 211.571 g/mol |
| SMILES | C(F)(F)(F)OC1=CC(=C(C=C1)Cl)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904514 |