| SpectraBase Compound ID | 2uxOYQNADn9 |
|---|---|
| InChI | InChI=1S/C10H4ClF7O2/c11-5-3-1-2-4-6(5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H |
| InChIKey | RTQMFWARAJJMNH-UHFFFAOYSA-N |
| Mol Weight | 324.58 g/mol |
| Molecular Formula | C10H4ClF7O2 |
| Exact Mass | 323.978804 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LG7krTl1PHU |
|---|---|
| Name | 2-Chlorophenol, o-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.978804208 u |
| Formula | C10H4ClF7O2 |
| InChI | InChI=1S/C10H4ClF7O2/c11-5-3-1-2-4-6(5)20-7(19)8(12,13)9(14,15)10(16,17)18/h1-4H |
| InChIKey | RTQMFWARAJJMNH-UHFFFAOYSA-N |
| Molecular Weight | 324.582 g/mol |
| SMILES | C1(Cl)=C(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C=CC=C1 |