| SpectraBase Compound ID | 1XRYyZYzCtv |
|---|---|
| InChI | InChI=1S/C17H22F2O4/c1-3-4-11-22-15(20)9-6-10-16(21)23-12(2)17-13(18)7-5-8-14(17)19/h5,7-8,12H,3-4,6,9-11H2,1-2H3 |
| InChIKey | PHWKHCHKQHREMQ-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 | 4TI41MhZjcf |
|---|---|
| Name | Glutaric acid, butyl 1-(2,6-difluorophenyl)ethyl 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/c1-3-4-11-22-15(20)9-6-10-16(21)23-12(2)17-13(18)7-5-8-14(17)19/h5,7-8,12H,3-4,6,9-11H2,1-2H3 |
| InChIKey | PHWKHCHKQHREMQ-UHFFFAOYSA-N |
| Molecular Weight | 328.356 g/mol |
| SMILES | C(OC(C)C1=C(C=CC=C1F)F)(=O)CCCC(OCCCC)=O |