| SpectraBase Compound ID | 68YqYJkqfHq |
|---|---|
| InChI | InChI=1S/C8H8FNO3/c1-2-13-8-6(9)4-3-5-7(8)10(11)12/h3-5H,2H2,1H3 |
| InChIKey | FWCUZYLXWCEXQT-UHFFFAOYSA-N |
| Mol Weight | 185.15 g/mol |
| Molecular Formula | C8H8FNO3 |
| Exact Mass | 185.048821 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3oXi5I7s6J6 |
|---|---|
| Name | 1-Ethoxy-2-fluoro-6-nitrobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.048821282 u |
| Formula | C8H8FNO3 |
| InChI | InChI=1S/C8H8FNO3/c1-2-13-8-6(9)4-3-5-7(8)10(11)12/h3-5H,2H2,1H3 |
| InChIKey | FWCUZYLXWCEXQT-UHFFFAOYSA-N |
| Molecular Weight | 185.154 g/mol |
| SMILES | C1(=CC=CC(=C1OCC)F)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868931 |