| SpectraBase Compound ID | 6IiWHH9XeH1 |
|---|---|
| InChI | InChI=1S/C15H15F5O5/c1-2-3-4-24-9(21)6-23-7-10(22)25-5-8-11(16)13(18)15(20)14(19)12(8)17/h2-7H2,1H3 |
| InChIKey | ZBTDDSFZUSHBLQ-UHFFFAOYSA-N |
| Mol Weight | 370.27 g/mol |
| Molecular Formula | C15H15F5O5 |
| Exact Mass | 370.083964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3HC8nDN6CLx |
|---|---|
| Name | Diglycolic acid, butyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.083964393 u |
| Formula | C15H15F5O5 |
| InChI | InChI=1S/C15H15F5O5/c1-2-3-4-24-9(21)6-23-7-10(22)25-5-8-11(16)13(18)15(20)14(19)12(8)17/h2-7H2,1H3 |
| InChIKey | ZBTDDSFZUSHBLQ-UHFFFAOYSA-N |
| Molecular Weight | 370.272 g/mol |
| SMILES | C(COCC(=O)OCCCC)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |