| SpectraBase Compound ID | BYEzcofDPj2 |
|---|---|
| InChI | InChI=1S/C13H8F6O6/c14-12(15,16)10(21)24-6-5-23-9(20)7-3-1-2-4-8(7)25-11(22)13(17,18)19/h1-4H,5-6H2 |
| InChIKey | GWVFRUISTYOCTK-UHFFFAOYSA-N |
| Mol Weight | 374.19 g/mol |
| Molecular Formula | C13H8F6O6 |
| Exact Mass | 374.022507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8TG9uKZdriQ |
|---|---|
| Name | Ethylene glycol monosalicylate, bis(trifluoroacetate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.022506950 u |
| Formula | C13H8F6O6 |
| InChI | InChI=1S/C13H8F6O6/c14-12(15,16)10(21)24-6-5-23-9(20)7-3-1-2-4-8(7)25-11(22)13(17,18)19/h1-4H,5-6H2 |
| InChIKey | GWVFRUISTYOCTK-UHFFFAOYSA-N |
| Molecular Weight | 374.191 g/mol |
| SMILES | C1=CC=C(C(=C1)C(=O)OCCOC(C(F)(F)F)=O)OC(C(F)(F)F)=O |