| SpectraBase Compound ID | Cjh8ZApK6TL |
|---|---|
| InChI | InChI=1S/C10H2Cl3F7O2/c11-3-1-5(13)6(2-4(3)12)22-7(21)8(14,15)9(16,17)10(18,19)20/h1-2H |
| InChIKey | CPWKTXCOTWRYSL-UHFFFAOYSA-N |
| Mol Weight | 393.47 g/mol |
| Molecular Formula | C10H2Cl3F7O2 |
| Exact Mass | 391.90086 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89ceVWgLFyh |
|---|---|
| Name | 2,4,5-Trichlorophenol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 391.900859543 u |
| Formula | C10H2Cl3F7O2 |
| InChI | InChI=1S/C10H2Cl3F7O2/c11-3-1-5(13)6(2-4(3)12)22-7(21)8(14,15)9(16,17)10(18,19)20/h1-2H |
| InChIKey | CPWKTXCOTWRYSL-UHFFFAOYSA-N |
| Molecular Weight | 393.472 g/mol |
| SMILES | C1(=CC(=C(C=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl)Cl)Cl |