| SpectraBase Compound ID | 9ina0rjS1CP |
|---|---|
| InChI | InChI=1S/C17H22F2O4/c1-2-3-4-10-22-16(20)6-5-7-17(21)23-12-13-8-9-14(18)15(19)11-13/h8-9,11H,2-7,10,12H2,1H3 |
| InChIKey | OBWTXZOMBKOSQL-UHFFFAOYSA-N |
| Mol Weight | 328.36 g/mol |
| Molecular Formula | C17H22F2O4 |
| Exact Mass | 328.148616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GQAhzanWfP9 |
|---|---|
| Name | Glutaric acid, 3,4-difluorobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.148615510 u |
| Formula | C17H22F2O4 |
| InChI | InChI=1S/C17H22F2O4/c1-2-3-4-10-22-16(20)6-5-7-17(21)23-12-13-8-9-14(18)15(19)11-13/h8-9,11H,2-7,10,12H2,1H3 |
| InChIKey | OBWTXZOMBKOSQL-UHFFFAOYSA-N |
| Molecular Weight | 328.356 g/mol |
| SMILES | C(OCC1=CC(=C(C=C1)F)F)(=O)CCCC(OCCCCC)=O |