| SpectraBase Compound ID | 3GKx6LmPcCk |
|---|---|
| InChI | InChI=1S/C15H18F2O4/c1-2-8-20-14(18)4-3-5-15(19)21-10-11-9-12(16)6-7-13(11)17/h6-7,9H,2-5,8,10H2,1H3 |
| InChIKey | WZZQGXNCXFIHNU-UHFFFAOYSA-N |
| Mol Weight | 300.3 g/mol |
| Molecular Formula | C15H18F2O4 |
| Exact Mass | 300.117315 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5fridRJ8sI5 |
|---|---|
| Name | Glutaric acid, 2,5-difluorobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.117315382 u |
| Formula | C15H18F2O4 |
| InChI | InChI=1S/C15H18F2O4/c1-2-8-20-14(18)4-3-5-15(19)21-10-11-9-12(16)6-7-13(11)17/h6-7,9H,2-5,8,10H2,1H3 |
| InChIKey | WZZQGXNCXFIHNU-UHFFFAOYSA-N |
| Molecular Weight | 300.302 g/mol |
| SMILES | C(OCC1=C(C=CC(=C1)F)F)(=O)CCCC(OCCC)=O |