| SpectraBase Compound ID | 6dzuk2i99h2 |
|---|---|
| InChI | InChI=1S/C15H26ClFO4/c16-10-5-3-1-2-4-6-12-20-14(18)8-7-9-15(19)21-13-11-17/h1-13H2 |
| InChIKey | NZALLASYAAQGEY-UHFFFAOYSA-N |
| Mol Weight | 324.82 g/mol |
| Molecular Formula | C15H26ClFO4 |
| Exact Mass | 324.150365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ppgAPVMDNL |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 2-fluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.150365176 u |
| Formula | C15H26ClFO4 |
| InChI | InChI=1S/C15H26ClFO4/c16-10-5-3-1-2-4-6-12-20-14(18)8-7-9-15(19)21-13-11-17/h1-13H2 |
| InChIKey | NZALLASYAAQGEY-UHFFFAOYSA-N |
| Molecular Weight | 324.820 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OCCF)=O |