| SpectraBase Compound ID | H61OKkZtn4K |
|---|---|
| InChI | InChI=1S/C7H3F3INO2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H |
| InChIKey | HUFFQIQKEINJNA-UHFFFAOYSA-N |
| Mol Weight | 317.01 g/mol |
| Molecular Formula | C7H3F3INO2 |
| Exact Mass | 316.916058 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 16kHmb4mgUw |
|---|---|
| Name | 1-Iodo-4-nitro-2-(trifluoromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.916057828 u |
| Formula | C7H3F3INO2 |
| InChI | InChI=1S/C7H3F3INO2/c8-7(9,10)5-3-4(12(13)14)1-2-6(5)11/h1-3H |
| InChIKey | HUFFQIQKEINJNA-UHFFFAOYSA-N |
| Molecular Weight | 317.006 g/mol |
| SMILES | C1(I)=C(C=C(C=C1)N(=O)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867814 |