| SpectraBase Compound ID | 3wdOTIWJVNI |
|---|---|
| InChI | InChI=1S/C6H8ClF3O3/c7-1-2-12-3-4-13-5(11)6(8,9)10/h1-4H2 |
| InChIKey | GMCNAIXEBHZCAY-UHFFFAOYSA-N |
| Mol Weight | 220.58 g/mol |
| Molecular Formula | C6H8ClF3O3 |
| Exact Mass | 220.011406 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqlJ6fQrHf |
|---|---|
| Name | 3-Oxypentanol, 5-chloro, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.011406304 u |
| Formula | C6H8ClF3O3 |
| InChI | InChI=1S/C6H8ClF3O3/c7-1-2-12-3-4-13-5(11)6(8,9)10/h1-4H2 |
| InChIKey | GMCNAIXEBHZCAY-UHFFFAOYSA-N |
| Molecular Weight | 220.575 g/mol |
| SMILES | C(Cl)COCCOC(C(F)(F)F)=O |