| SpectraBase Compound ID | 4OhD0Sf7ShD |
|---|---|
| InChI | InChI=1S/C19H23F5O4/c1-4-7-8-9-10-27-17(25)19(5-2,6-3)18(26)28-16-14(23)12(21)11(20)13(22)15(16)24/h4-10H2,1-3H3 |
| InChIKey | WPSUHZCPTQKMBE-UHFFFAOYSA-N |
| Mol Weight | 410.38 g/mol |
| Molecular Formula | C19H23F5O4 |
| Exact Mass | 410.15165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1vmq9fzqLBm |
|---|---|
| Name | Diethylmalonic acid, hexyl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.151650032 u |
| Formula | C19H23F5O4 |
| InChI | InChI=1S/C19H23F5O4/c1-4-7-8-9-10-27-17(25)19(5-2,6-3)18(26)28-16-14(23)12(21)11(20)13(22)15(16)24/h4-10H2,1-3H3 |
| InChIKey | WPSUHZCPTQKMBE-UHFFFAOYSA-N |
| Molecular Weight | 410.381 g/mol |
| SMILES | CCC(C(OCCCCCC)=O)(C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |