| SpectraBase Compound ID | 4ikeLjAV3Ww |
|---|---|
| InChI | InChI=1S/C2H2F3NO2/c3-2(4,5)1-6(7)8/h1H2 |
| InChIKey | JIKDQMLRRHUBKY-UHFFFAOYSA-N |
| Mol Weight | 129.038 g/mol |
| Molecular Formula | C2H2F3NO2 |
| Exact Mass | 129.003763 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hr5x7UNMebB |
|---|---|
| Name | 1,1,1-Trifluoro, 2-nitroethane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.003762795 u |
| Formula | C2H2F3NO2 |
| InChI | InChI=1S/C2H2F3NO2/c3-2(4,5)1-6(7)8/h1H2 |
| InChIKey | JIKDQMLRRHUBKY-UHFFFAOYSA-N |
| Molecular Weight | 129.038 g/mol |
| SMILES | C(CN(=O)=O)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984141 |