| SpectraBase Compound ID | AZv8QJNznHW |
|---|---|
| InChI | InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(11(13)14)1-2-6(5)12/h1-3,12H |
| InChIKey | GWGZFNRFNIXCGH-UHFFFAOYSA-N |
| Mol Weight | 207.11 g/mol |
| Molecular Formula | C7H4F3NO3 |
| Exact Mass | 207.014327 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GZPJVoUwAVB |
|---|---|
| Name | 4-Nitro-2-trifluoromethylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.014327479 u |
| Formula | C7H4F3NO3 |
| InChI | InChI=1S/C7H4F3NO3/c8-7(9,10)5-3-4(11(13)14)1-2-6(5)12/h1-3,12H |
| InChIKey | GWGZFNRFNIXCGH-UHFFFAOYSA-N |
| Molecular Weight | 207.108 g/mol |
| SMILES | C1(O)=CC=C(C=C1C(F)(F)F)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96954 |