| SpectraBase Compound ID | JT5xiPaGk3y |
|---|---|
| InChI | InChI=1S/C20H25F5O5/c1-2-3-4-5-6-7-8-9-29-14(26)11-28-12-15(27)30-10-13-16(21)18(23)20(25)19(24)17(13)22/h2-12H2,1H3 |
| InChIKey | CQPSXANIAHYQJB-UHFFFAOYSA-N |
| Mol Weight | 440.41 g/mol |
| Molecular Formula | C20H25F5O5 |
| Exact Mass | 440.162215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C8u4TZ81HRD |
|---|---|
| Name | Diglycolic acid, nonyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.162214715 u |
| Formula | C20H25F5O5 |
| InChI | InChI=1S/C20H25F5O5/c1-2-3-4-5-6-7-8-9-29-14(26)11-28-12-15(27)30-10-13-16(21)18(23)20(25)19(24)17(13)22/h2-12H2,1H3 |
| InChIKey | CQPSXANIAHYQJB-UHFFFAOYSA-N |
| Molecular Weight | 440.407 g/mol |
| SMILES | C(COCC(=O)OCCCCCCCCC)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |