| SpectraBase Compound ID | 1JrtWNOLVTt |
|---|---|
| InChI | InChI=1S/C9H6F3NO/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4H,1H3 |
| InChIKey | FNPSTMJRNVUTJV-UHFFFAOYSA-N |
| Mol Weight | 201.15 g/mol |
| Molecular Formula | C9H6F3NO |
| Exact Mass | 201.040148 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6cVABjkTgUN |
|---|---|
| Name | 4-Methoxy-2-(trifluoromethyl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.040148305 u |
| Formula | C9H6F3NO |
| InChI | InChI=1S/C9H6F3NO/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4H,1H3 |
| InChIKey | FNPSTMJRNVUTJV-UHFFFAOYSA-N |
| Molecular Weight | 201.148 g/mol |
| SMILES | C(F)(F)(F)C1=C(C=CC(=C1)OC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862649 |