| SpectraBase Compound ID | JmToQsUAXRd |
|---|---|
| InChI | InChI=1S/C10H6ClF5O2/c11-3-1-2-4(17)18-10-8(15)6(13)5(12)7(14)9(10)16/h1-3H2 |
| InChIKey | OASWZKFZGUCTGJ-UHFFFAOYSA-N |
| Mol Weight | 288.6 g/mol |
| Molecular Formula | C10H6ClF5O2 |
| Exact Mass | 287.997648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KIUJkyzLtvF |
|---|---|
| Name | 4-Chlorobutyric acid, pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.997647946 u |
| Formula | C10H6ClF5O2 |
| InChI | InChI=1S/C10H6ClF5O2/c11-3-1-2-4(17)18-10-8(15)6(13)5(12)7(14)9(10)16/h1-3H2 |
| InChIKey | OASWZKFZGUCTGJ-UHFFFAOYSA-N |
| Molecular Weight | 288.601 g/mol |
| SMILES | C1(=C(C(F)=C(C(=C1F)F)OC(CCCCl)=O)F)F |