| SpectraBase Compound ID | AMpc8WnyRn9 |
|---|---|
| InChI | InChI=1S/C13H2Cl3F5O2/c14-3-1-5(16)6(2-4(3)15)23-13(22)7-8(17)10(19)12(21)11(20)9(7)18/h1-2H |
| InChIKey | MFYDGNNHFUZELW-UHFFFAOYSA-N |
| Mol Weight | 391.51 g/mol |
| Molecular Formula | C13H2Cl3F5O2 |
| Exact Mass | 389.904053 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I1ZEdvmQifw |
|---|---|
| Name | Pentafluorobenzoic acid, 2,4,5-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 389.904053217 u |
| Formula | C13H2Cl3F5O2 |
| InChI | InChI=1S/C13H2Cl3F5O2/c14-3-1-5(16)6(2-4(3)15)23-13(22)7-8(17)10(19)12(21)11(20)9(7)18/h1-2H |
| InChIKey | MFYDGNNHFUZELW-UHFFFAOYSA-N |
| Molecular Weight | 391.508 g/mol |
| SMILES | C1(=CC(Cl)=C(C=C1Cl)OC(C1=C(C(=C(F)C(=C1F)F)F)F)=O)Cl |