| SpectraBase Compound ID | B4lFVT0NXjy |
|---|---|
| InChI | InChI=1S/C18H24F2O4/c1-2-3-4-5-6-11-23-17(21)9-10-18(22)24-13-14-12-15(19)7-8-16(14)20/h7-8,12H,2-6,9-11,13H2,1H3 |
| InChIKey | GEXJECBJEVCAKR-UHFFFAOYSA-N |
| Mol Weight | 342.38 g/mol |
| Molecular Formula | C18H24F2O4 |
| Exact Mass | 342.164266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cv02ZpGNDDZ |
|---|---|
| Name | Succinic acid, 2,5-difluorobenzyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.164265575 u |
| Formula | C18H24F2O4 |
| InChI | InChI=1S/C18H24F2O4/c1-2-3-4-5-6-11-23-17(21)9-10-18(22)24-13-14-12-15(19)7-8-16(14)20/h7-8,12H,2-6,9-11,13H2,1H3 |
| InChIKey | GEXJECBJEVCAKR-UHFFFAOYSA-N |
| Molecular Weight | 342.383 g/mol |
| SMILES | C(CCC(OCC=1C(F)=CC=C(F)C1)=O)(OCCCCCCC)=O |