| SpectraBase Compound ID | 79F9WKqloYi |
|---|---|
| InChI | InChI=1S/C10H2F3N3/c11-10(12,13)9-2-7(4-15)6(3-14)1-8(9)5-16/h1-2H |
| InChIKey | BDMWYRYDXMVKAH-UHFFFAOYSA-N |
| Mol Weight | 221.14 g/mol |
| Molecular Formula | C10H2F3N3 |
| Exact Mass | 221.020082 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9a0LojbRPJL |
|---|---|
| Name | 2,4,5-Tricyano-1-trifluoromethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.020081565 u |
| Formula | C10H2F3N3 |
| InChI | InChI=1S/C10H2F3N3/c11-10(12,13)9-2-7(4-15)6(3-14)1-8(9)5-16/h1-2H |
| InChIKey | BDMWYRYDXMVKAH-UHFFFAOYSA-N |
| Molecular Weight | 221.142 g/mol |
| SMILES | C=1(C(=CC(=C(C1)C#N)C#N)C#N)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.862417 |