| SpectraBase Compound ID | LGMWwUYTZz7 |
|---|---|
| InChI | InChI=1S/C8H7ClF3NO/c9-5-1-2-7(6(13)3-5)14-4-8(10,11)12/h1-3H,4,13H2 |
| InChIKey | QVHQVFPXAKZMKQ-UHFFFAOYSA-N |
| Mol Weight | 225.6 g/mol |
| Molecular Formula | C8H7ClF3NO |
| Exact Mass | 225.016826 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Tq6OLBVHWU |
|---|---|
| Name | 5-Chloro-2-(2,2,2-trifluoroethoxy)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.016826037 u |
| Formula | C8H7ClF3NO |
| InChI | InChI=1S/C8H7ClF3NO/c9-5-1-2-7(6(13)3-5)14-4-8(10,11)12/h1-3H,4,13H2 |
| InChIKey | QVHQVFPXAKZMKQ-UHFFFAOYSA-N |
| Molecular Weight | 225.598 g/mol |
| SMILES | C(F)(F)(F)COC1=C(C=C(C=C1)Cl)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890799 |