| SpectraBase Compound ID | BCUWIdB3RGZ |
|---|---|
| InChI | InChI=1S/C19H23F5O4/c1-4-7-8-9-27-17(25)19(5-2,6-3)18(26)28-10-11-12(20)14(22)16(24)15(23)13(11)21/h4-10H2,1-3H3 |
| InChIKey | VLKHRYMKXCVBRU-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 | BJZ40T4CWZU |
|---|---|
| Name | Diethylmalonic acid, pentafluorobenzyl pentyl 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/c1-4-7-8-9-27-17(25)19(5-2,6-3)18(26)28-10-11-12(20)14(22)16(24)15(23)13(11)21/h4-10H2,1-3H3 |
| InChIKey | VLKHRYMKXCVBRU-UHFFFAOYSA-N |
| Molecular Weight | 410.381 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC |