| SpectraBase Compound ID | CsPiIp3OumX |
|---|---|
| InChI | InChI=1S/C8H6FNO4/c1-5(11)14-8-3-2-6(10(12)13)4-7(8)9/h2-4H,1H3 |
| InChIKey | IYIKOSPRDLRAQK-UHFFFAOYSA-N |
| Mol Weight | 199.14 g/mol |
| Molecular Formula | C8H6FNO4 |
| Exact Mass | 199.028086 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4rpvuZ5xpzE |
|---|---|
| Name | Phenol, 2-fluoro-4-nitro-, acetate(ester) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.028085836 u |
| Formula | C8H6FNO4 |
| InChI | InChI=1S/C8H6FNO4/c1-5(11)14-8-3-2-6(10(12)13)4-7(8)9/h2-4H,1H3 |
| InChIKey | IYIKOSPRDLRAQK-UHFFFAOYSA-N |
| Molecular Weight | 199.137 g/mol |
| SMILES | C1=C(C(=CC=C1N(=O)=O)OC(C)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975644 |