| SpectraBase Compound ID | A4H0vTADDQb |
|---|---|
| InChI | InChI=1S/C10Cl5F7O2/c11-1-2(12)4(14)6(5(15)3(1)13)24-7(23)8(16,17)9(18,19)10(20,21)22 |
| InChIKey | GXCBFYUZBTUMNU-UHFFFAOYSA-N |
| Mol Weight | 462.4 g/mol |
| Molecular Formula | C10Cl5F7O2 |
| Exact Mass | 459.822915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 668p2w7sklY |
|---|---|
| Name | Pentachlorophenol, heptafluorobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 459.822914879 u |
| Formula | C10Cl5F7O2 |
| InChI | InChI=1S/C10Cl5F7O2/c11-1-2(12)4(14)6(5(15)3(1)13)24-7(23)8(16,17)9(18,19)10(20,21)22 |
| InChIKey | GXCBFYUZBTUMNU-UHFFFAOYSA-N |
| Molecular Weight | 462.362 g/mol |
| SMILES | C1(=C(C(=C(C(=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)Cl)Cl)Cl)Cl)Cl |