| SpectraBase Compound ID | L5US6CCPlXQ |
|---|---|
| InChI | InChI=1S/C18H21F5O5/c1-2-3-4-5-6-7-27-12(24)9-26-10-13(25)28-8-11-14(19)16(21)18(23)17(22)15(11)20/h2-10H2,1H3 |
| InChIKey | OAILAWXPUQXZQU-UHFFFAOYSA-N |
| Mol Weight | 412.35 g/mol |
| Molecular Formula | C18H21F5O5 |
| Exact Mass | 412.130915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DWl08CUFVNs |
|---|---|
| Name | Diglycolic acid, heptyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.130914586 u |
| Formula | C18H21F5O5 |
| InChI | InChI=1S/C18H21F5O5/c1-2-3-4-5-6-7-27-12(24)9-26-10-13(25)28-8-11-14(19)16(21)18(23)17(22)15(11)20/h2-10H2,1H3 |
| InChIKey | OAILAWXPUQXZQU-UHFFFAOYSA-N |
| Molecular Weight | 412.353 g/mol |
| SMILES | C(COCC(=O)OCCCCCCC)(=O)OCC1=C(C(=C(C(=C1F)F)F)F)F |