| SpectraBase Compound ID | 7SXdlUkAMMB |
|---|---|
| InChI | InChI=1S/C7H5Cl3O2/c1-4-2-5(7(8,9)10)12-6(11)3-4/h2-3H,1H3 |
| InChIKey | NWTKBJNOJSTMMY-UHFFFAOYSA-N |
| Mol Weight | 227.47 g/mol |
| Molecular Formula | C7H5Cl3O2 |
| Exact Mass | 225.935512 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IfoywLJrOv1 |
|---|---|
| Name | 4-Methyl-6-(trichloromethyl)-2H-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.935512499 u |
| Formula | C7H5Cl3O2 |
| InChI | InChI=1S/C7H5Cl3O2/c1-4-2-5(7(8,9)10)12-6(11)3-4/h2-3H,1H3 |
| InChIKey | NWTKBJNOJSTMMY-UHFFFAOYSA-N |
| SMILES | C(Cl)(Cl)(Cl)C=1OC(C=C(C1)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.707445 |