| SpectraBase Compound ID | 2SjQqanxuWm |
|---|---|
| InChI | InChI=1S/C9H4ClF5O2/c10-1-4(16)17-2-3-5(11)7(13)9(15)8(14)6(3)12/h1-2H2 |
| InChIKey | SBEJFZQXFAZHSS-UHFFFAOYSA-N |
| Mol Weight | 274.57 g/mol |
| Molecular Formula | C9H4ClF5O2 |
| Exact Mass | 273.981998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F2u5YnqWFmE |
|---|---|
| Name | Chloroacetic acid, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.981997882 u |
| Formula | C9H4ClF5O2 |
| InChI | InChI=1S/C9H4ClF5O2/c10-1-4(16)17-2-3-5(11)7(13)9(15)8(14)6(3)12/h1-2H2 |
| InChIKey | SBEJFZQXFAZHSS-UHFFFAOYSA-N |
| Molecular Weight | 274.574 g/mol |
| SMILES | C(C(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F)Cl |