| SpectraBase Compound ID | 2JPPGcgEci9 |
|---|---|
| InChI | InChI=1S/C8H4ClF2NO4/c9-8(10,11)7(13)16-6-4-2-1-3-5(6)12(14)15/h1-4H |
| InChIKey | IFFATUHOMKVREH-UHFFFAOYSA-N |
| Mol Weight | 251.57 g/mol |
| Molecular Formula | C8H4ClF2NO4 |
| Exact Mass | 250.979692 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7NQUqqgsPMd |
|---|---|
| Name | 2-Nitrophenol, chlorodifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.979691635 u |
| Formula | C8H4ClF2NO4 |
| InChI | InChI=1S/C8H4ClF2NO4/c9-8(10,11)7(13)16-6-4-2-1-3-5(6)12(14)15/h1-4H |
| InChIKey | IFFATUHOMKVREH-UHFFFAOYSA-N |
| Molecular Weight | 251.573 g/mol |
| SMILES | C1(=CC=CC=C1OC(C(F)(F)Cl)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896782 |