| SpectraBase Compound ID | Gi6oIe5J4GI |
|---|---|
| InChI | InChI=1S/C17H19F5O5/c1-9(2)4-3-5-26-11(23)7-25-8-12(24)27-6-10-13(18)15(20)17(22)16(21)14(10)19/h9H,3-8H2,1-2H3 |
| InChIKey | YHYOSVSPNPDGNN-UHFFFAOYSA-N |
| Mol Weight | 398.33 g/mol |
| Molecular Formula | C17H19F5O5 |
| Exact Mass | 398.115265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKxsetFeVlx |
|---|---|
| Name | Diglycolic acid, isohexyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.115264522 u |
| Formula | C17H19F5O5 |
| InChI | InChI=1S/C17H19F5O5/c1-9(2)4-3-5-26-11(23)7-25-8-12(24)27-6-10-13(18)15(20)17(22)16(21)14(10)19/h9H,3-8H2,1-2H3 |
| InChIKey | YHYOSVSPNPDGNN-UHFFFAOYSA-N |
| Molecular Weight | 398.326 g/mol |
| SMILES | C(COCC(=O)OCCCC(C)C)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |