| SpectraBase Compound ID | B6LtmBJXpKf |
|---|---|
| InChI | InChI=1S/C7H3F3INO3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H |
| InChIKey | LSFHKVCNLXPINN-UHFFFAOYSA-N |
| Mol Weight | 333.0 g/mol |
| Molecular Formula | C7H3F3INO3 |
| Exact Mass | 332.910972 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 96xSrksPDP1 |
|---|---|
| Name | 1-Iodo-2-nitro-4-(trifluoromethoxy)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.910972447 u |
| Formula | C7H3F3INO3 |
| InChI | InChI=1S/C7H3F3INO3/c8-7(9,10)15-4-1-2-5(11)6(3-4)12(13)14/h1-3H |
| InChIKey | LSFHKVCNLXPINN-UHFFFAOYSA-N |
| Molecular Weight | 333.005 g/mol |
| SMILES | C(OC1=CC(N(=O)=O)=C(C=C1)I)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.837583 |