| SpectraBase Compound ID | HYobDO0MD1T |
|---|---|
| InChI | InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-5(11(13)14)3-6(12)2-4/h1-3,12H |
| InChIKey | JDIAMHNYAPDMRB-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 | 6HDntyihM1f |
|---|---|
| Name | 3-Nitro-5-(trifluoromethyl)phenol |
| 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)4-1-5(11(13)14)3-6(12)2-4/h1-3,12H |
| InChIKey | JDIAMHNYAPDMRB-UHFFFAOYSA-N |
| Molecular Weight | 207.108 g/mol |
| SMILES | C1(=CC(=CC(=C1)O)N(=O)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879508 |