| SpectraBase Compound ID | Jk7KxIWHLGf |
|---|---|
| InChI | InChI=1S/C10H9ClF2O2/c1-2-7-5-3-4-6-8(7)15-9(14)10(11,12)13/h3-6H,2H2,1H3 |
| InChIKey | IRWQQGARMMWMSE-UHFFFAOYSA-N |
| Mol Weight | 234.63 g/mol |
| Molecular Formula | C10H9ClF2O2 |
| Exact Mass | 234.025914 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | t5Upq1uLcL |
|---|---|
| Name | 2-Ethylphenol, chlorodifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.025913554 u |
| Formula | C10H9ClF2O2 |
| InChI | InChI=1S/C10H9ClF2O2/c1-2-7-5-3-4-6-8(7)15-9(14)10(11,12)13/h3-6H,2H2,1H3 |
| InChIKey | IRWQQGARMMWMSE-UHFFFAOYSA-N |
| Molecular Weight | 234.630 g/mol |
| SMILES | C1(=CC=CC=C1OC(C(F)(F)Cl)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898379 |