| SpectraBase Compound ID | Vr42dpZZDP |
|---|---|
| InChI | InChI=1S/C12H4ClF5/c13-6-3-1-2-5(4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H |
| InChIKey | FZDUKEDUVFIMBV-UHFFFAOYSA-N |
| Mol Weight | 278.61 g/mol |
| Molecular Formula | C12H4ClF5 |
| Exact Mass | 277.992169 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jd8MFeHkVov |
|---|---|
| Name | 2,3,4,5,6-Pentafluoro-3'-chlorobiphenyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.992168644 u |
| Formula | C12H4ClF5 |
| InChI | InChI=1S/C12H4ClF5/c13-6-3-1-2-5(4-6)7-8(14)10(16)12(18)11(17)9(7)15/h1-4H |
| InChIKey | FZDUKEDUVFIMBV-UHFFFAOYSA-N |
| Molecular Weight | 278.609 g/mol |
| SMILES | c1(cccc(c1)Cl)-c1c(c(F)c(c(c1F)F)F)F |