| SpectraBase Compound ID | HEfAak5ySTE |
|---|---|
| InChI | InChI=1S/C10H4ClF5O4/c11-9(12,13)7(17)19-5-3-1-2-4-6(5)20-8(18)10(14,15)16/h1-4H |
| InChIKey | YTEDIPRWGLROGN-UHFFFAOYSA-N |
| Mol Weight | 318.58 g/mol |
| Molecular Formula | C10H4ClF5O4 |
| Exact Mass | 317.971827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvhiRcTQRlT |
|---|---|
| Name | Catechol, o-chlorodifluoroacetate-o'-trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.971827120 u |
| Formula | C10H4ClF5O4 |
| InChI | InChI=1S/C10H4ClF5O4/c11-9(12,13)7(17)19-5-3-1-2-4-6(5)20-8(18)10(14,15)16/h1-4H |
| InChIKey | YTEDIPRWGLROGN-UHFFFAOYSA-N |
| Molecular Weight | 318.583 g/mol |
| SMILES | C1(=CC=CC=C1OC(C(F)(F)Cl)=O)OC(C(F)(F)F)=O |