| SpectraBase Compound ID | DdsWb02quDc |
|---|---|
| InChI | InChI=1S/C9H2Cl3F5O2/c10-3-1-5(12)6(2-4(3)11)19-7(18)8(13,14)9(15,16)17/h1-2H |
| InChIKey | JKOKNHSVTYRBQW-UHFFFAOYSA-N |
| Mol Weight | 343.46 g/mol |
| Molecular Formula | C9H2Cl3F5O2 |
| Exact Mass | 341.904053 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4hF30u2Uhz |
|---|---|
| Name | 2,4,5-Trichlorophenol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.904053217 u |
| Formula | C9H2Cl3F5O2 |
| InChI | InChI=1S/C9H2Cl3F5O2/c10-3-1-5(12)6(2-4(3)11)19-7(18)8(13,14)9(15,16)17/h1-2H |
| InChIKey | JKOKNHSVTYRBQW-UHFFFAOYSA-N |
| Molecular Weight | 343.464 g/mol |
| SMILES | C1(=CC(=C(C=C1OC(C(C(F)(F)F)(F)F)=O)Cl)Cl)Cl |