| SpectraBase Compound ID | 8PK9CHSJP6J |
|---|---|
| InChI | InChI=1S/C19H26F2O4/c1-4-7-8-11-24-17(22)19(5-2,6-3)18(23)25-13-14-9-10-15(20)16(21)12-14/h9-10,12H,4-8,11,13H2,1-3H3 |
| InChIKey | QUEALYZFQNRQHR-UHFFFAOYSA-N |
| Mol Weight | 356.41 g/mol |
| Molecular Formula | C19H26F2O4 |
| Exact Mass | 356.179916 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BhJJ8ckBTMl |
|---|---|
| Name | Diethylmalonic acid, pentyl 3,4-difluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.179915639 u |
| Formula | C19H26F2O4 |
| InChI | InChI=1S/C19H26F2O4/c1-4-7-8-11-24-17(22)19(5-2,6-3)18(23)25-13-14-9-10-15(20)16(21)12-14/h9-10,12H,4-8,11,13H2,1-3H3 |
| InChIKey | QUEALYZFQNRQHR-UHFFFAOYSA-N |
| Molecular Weight | 356.410 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OCC1=CC(=C(C=C1)F)F)=O)CC |