| SpectraBase Compound ID | 5mQFFaS2Je3 |
|---|---|
| InChI | InChI=1S/C21H22F2O4/c22-18-8-4-16(5-9-18)12-14-26-20(24)2-1-3-21(25)27-15-13-17-6-10-19(23)11-7-17/h4-11H,1-3,12-15H2 |
| InChIKey | UPWSVNZEVYBERG-UHFFFAOYSA-N |
| Mol Weight | 376.4 g/mol |
| Molecular Formula | C21H22F2O4 |
| Exact Mass | 376.148616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4iiWX0AbOEm |
|---|---|
| Name | Glutaric acid, di(2-(4-fluorophenyl)ethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 376.148615510 u |
| Formula | C21H22F2O4 |
| InChI | InChI=1S/C21H22F2O4/c22-18-8-4-16(5-9-18)12-14-26-20(24)2-1-3-21(25)27-15-13-17-6-10-19(23)11-7-17/h4-11H,1-3,12-15H2 |
| InChIKey | UPWSVNZEVYBERG-UHFFFAOYSA-N |
| Molecular Weight | 376.400 g/mol |
| SMILES | C(OCCC1=CC=C(C=C1)F)(=O)CCCC(OCCC1=CC=C(C=C1)F)=O |