| SpectraBase Compound ID | AJvyPX2L6Ew |
|---|---|
| InChI | InChI=1S/C8Cl5F3O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16 |
| InChIKey | QACUOWCDCMROJT-UHFFFAOYSA-N |
| Mol Weight | 362.3 g/mol |
| Molecular Formula | C8Cl5F3O2 |
| Exact Mass | 359.829302 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2jnSIK7rx9O |
|---|---|
| Name | Pentachlorophenol, o-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.829302227 u |
| Formula | C8Cl5F3O2 |
| InChI | InChI=1S/C8Cl5F3O2/c9-1-2(10)4(12)6(5(13)3(1)11)18-7(17)8(14,15)16 |
| InChIKey | QACUOWCDCMROJT-UHFFFAOYSA-N |
| Molecular Weight | 362.346 g/mol |
| SMILES | C1(=C(C(=C(C(=C1OC(C(F)(F)F)=O)Cl)Cl)Cl)Cl)Cl |