| SpectraBase Compound ID | BY3rkin9hYQ |
|---|---|
| InChI | InChI=1S/C6H5Cl3O3/c1-2-3(10)5(11)12-4(2)6(7,8)9/h4,10H,1H3 |
| InChIKey | BCWOXLUSWLFSPU-UHFFFAOYSA-N |
| Mol Weight | 231.46 g/mol |
| Molecular Formula | C6H5Cl3O3 |
| Exact Mass | 229.930427 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CVqPckKQVyS |
|---|---|
| Name | Furan-2(5H)-one, 5-trichloromethyl-3-hydroxy-4-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.930427118 u |
| Formula | C6H5Cl3O3 |
| InChI | InChI=1S/C6H5Cl3O3/c1-2-3(10)5(11)12-4(2)6(7,8)9/h4,10H,1H3 |
| InChIKey | BCWOXLUSWLFSPU-UHFFFAOYSA-N |
| Molecular Weight | 231.462 g/mol |
| SMILES | C=1(C(OC(C1O)=O)C(Cl)(Cl)Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855461 |