| SpectraBase Compound ID | DvXGfhV0b8w |
|---|---|
| InChI | InChI=1S/C9Cl5F5O2/c10-1-2(11)4(13)6(5(14)3(1)12)21-7(20)8(15,16)9(17,18)19 |
| InChIKey | CNPDMIWEYCHXIY-UHFFFAOYSA-N |
| Mol Weight | 412.4 g/mol |
| Molecular Formula | C9Cl5F5O2 |
| Exact Mass | 409.826109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8YtaiVpj7eW |
|---|---|
| Name | Pentachlorophenol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.826108553 u |
| Formula | C9Cl5F5O2 |
| InChI | InChI=1S/C9Cl5F5O2/c10-1-2(11)4(13)6(5(14)3(1)12)21-7(20)8(15,16)9(17,18)19 |
| InChIKey | CNPDMIWEYCHXIY-UHFFFAOYSA-N |
| Molecular Weight | 412.354 g/mol |
| SMILES | C1(=C(C(=C(C(=C1OC(C(C(F)(F)F)(F)F)=O)Cl)Cl)Cl)Cl)Cl |