| SpectraBase Compound ID | ZZL4ijAS1u |
|---|---|
| InChI | InChI=1S/C9H3Cl2F5O2/c10-4-1-2-6(5(11)3-4)18-7(17)8(12,13)9(14,15)16/h1-3H |
| InChIKey | OYAADQAHUIZKNW-UHFFFAOYSA-N |
| Mol Weight | 309.02 g/mol |
| Molecular Formula | C9H3Cl2F5O2 |
| Exact Mass | 307.943026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mjHNLvvIPc |
|---|---|
| Name | 2,4-Dichlorophenol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.943025550 u |
| Formula | C9H3Cl2F5O2 |
| InChI | InChI=1S/C9H3Cl2F5O2/c10-4-1-2-6(5(11)3-4)18-7(17)8(12,13)9(14,15)16/h1-3H |
| InChIKey | OYAADQAHUIZKNW-UHFFFAOYSA-N |
| Molecular Weight | 309.019 g/mol |
| SMILES | C1(=CC(=CC=C1OC(C(C(F)(F)F)(F)F)=O)Cl)Cl |