| SpectraBase Compound ID | 1N9RjaRK5Pu |
|---|---|
| InChI | InChI=1S/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H |
| InChIKey | AGKQJEFSEQHGTA-UHFFFAOYSA-N |
| Mol Weight | 216.12 g/mol |
| Molecular Formula | C8H3F3N2O2 |
| Exact Mass | 216.014662 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KWpxl87Ahan |
|---|---|
| Name | 1-Trifluoromethyl-2-cyano-5-nitrobenzole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.014661832 u |
| Formula | C8H3F3N2O2 |
| InChI | InChI=1S/C8H3F3N2O2/c9-8(10,11)7-3-6(13(14)15)2-1-5(7)4-12/h1-3H |
| InChIKey | AGKQJEFSEQHGTA-UHFFFAOYSA-N |
| Molecular Weight | 216.119 g/mol |
| SMILES | C1(=CC=C(C=C1C(F)(F)F)N(=O)=O)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954023 |