| SpectraBase Compound ID | 2s8cXTMwikd |
|---|---|
| InChI | InChI=1S/C19H23F5O5/c1-2-3-4-5-6-7-8-28-13(25)10-27-11-14(26)29-9-12-15(20)17(22)19(24)18(23)16(12)21/h2-11H2,1H3 |
| InChIKey | ILYMSZYQYQCWDL-UHFFFAOYSA-N |
| Mol Weight | 426.38 g/mol |
| Molecular Formula | C19H23F5O5 |
| Exact Mass | 426.146565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AB9cjfSXFir |
|---|---|
| Name | Diglycolic acid, octyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.146564651 u |
| Formula | C19H23F5O5 |
| InChI | InChI=1S/C19H23F5O5/c1-2-3-4-5-6-7-8-28-13(25)10-27-11-14(26)29-9-12-15(20)17(22)19(24)18(23)16(12)21/h2-11H2,1H3 |
| InChIKey | ILYMSZYQYQCWDL-UHFFFAOYSA-N |
| Molecular Weight | 426.380 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCC)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |