| SpectraBase Compound ID | JJr7PYAvUg4 |
|---|---|
| InChI | InChI=1S/C8H2ClF5O2/c9-1-2(15)16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2 |
| InChIKey | VVKNQIGLUQLDPD-UHFFFAOYSA-N |
| Mol Weight | 260.55 g/mol |
| Molecular Formula | C8H2ClF5O2 |
| Exact Mass | 259.966348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Ej1h8dKCwK |
|---|---|
| Name | Chloroacetic acid, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.966347817 u |
| Formula | C8H2ClF5O2 |
| InChI | InChI=1S/C8H2ClF5O2/c9-1-2(15)16-8-6(13)4(11)3(10)5(12)7(8)14/h1H2 |
| InChIKey | VVKNQIGLUQLDPD-UHFFFAOYSA-N |
| Molecular Weight | 260.547 g/mol |
| SMILES | C(C(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)Cl |