| SpectraBase Compound ID | F5W9iCeklKs |
|---|---|
| InChI | InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H |
| InChIKey | MXOQPGDHOAMPJW-UHFFFAOYSA-N |
| Mol Weight | 177.08 g/mol |
| Molecular Formula | C6H2F3NO2 |
| Exact Mass | 177.003763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3L1DKSUOlqg |
|---|---|
| Name | 2,3,5-Trifluoronitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 177.003762795 u |
| Formula | C6H2F3NO2 |
| InChI | InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H |
| InChIKey | MXOQPGDHOAMPJW-UHFFFAOYSA-N |
| Molecular Weight | 177.082 g/mol |
| SMILES | C1(N(=O)=O)=C(F)C(F)=CC(F)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952396 |