| SpectraBase Compound ID | 47a3wdbJiiT |
|---|---|
| InChI | InChI=1S/C9H8ClF3O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3 |
| InChIKey | IWJVUBUSVZHVJT-UHFFFAOYSA-N |
| Mol Weight | 224.61 g/mol |
| Molecular Formula | C9H8ClF3O |
| Exact Mass | 224.021577 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | H4EHuF1GYb0 |
|---|---|
| Name | beta-Chloro-o-methyl-alpha,alpha,beta-trifluorophenetole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.021577066 u |
| Formula | C9H8ClF3O |
| InChI | InChI=1S/C9H8ClF3O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3 |
| InChIKey | IWJVUBUSVZHVJT-UHFFFAOYSA-N |
| Molecular Weight | 224.610 g/mol |
| SMILES | C=1C(=C(C=CC1)C)OC(C(Cl)F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.816967 |