| SpectraBase Compound ID | JP4KsPEsjGl |
|---|---|
| InChI | InChI=1S/C16H20F2O4/c1-11(2)9-21-15(19)4-3-5-16(20)22-10-12-8-13(17)6-7-14(12)18/h6-8,11H,3-5,9-10H2,1-2H3 |
| InChIKey | PBNUUGPMJPYGJY-UHFFFAOYSA-N |
| Mol Weight | 314.33 g/mol |
| Molecular Formula | C16H20F2O4 |
| Exact Mass | 314.132965 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7mfqQ9h3eFR |
|---|---|
| Name | Glutaric acid, 2,5-difluorobenzyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.132965446 u |
| Formula | C16H20F2O4 |
| InChI | InChI=1S/C16H20F2O4/c1-11(2)9-21-15(19)4-3-5-16(20)22-10-12-8-13(17)6-7-14(12)18/h6-8,11H,3-5,9-10H2,1-2H3 |
| InChIKey | PBNUUGPMJPYGJY-UHFFFAOYSA-N |
| Molecular Weight | 314.329 g/mol |
| SMILES | C(OCC1=C(C=CC(=C1)F)F)(=O)CCCC(OCC(C)C)=O |