| SpectraBase Compound ID | HQuZrSHjCjh |
|---|---|
| InChI | InChI=1S/C16H18F4O4/c17-15(18)16(19,20)11-24-14(22)8-4-7-13(21)23-10-9-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2 |
| InChIKey | IVLGMOSBMZPFFR-UHFFFAOYSA-N |
| Mol Weight | 350.31 g/mol |
| Molecular Formula | C16H18F4O4 |
| Exact Mass | 350.114122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQguKuYKLBM |
|---|---|
| Name | Glutaric acid, 2,2,3,3-tetrafluoropropyl phenethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.114121708 u |
| Formula | C16H18F4O4 |
| InChI | InChI=1S/C16H18F4O4/c17-15(18)16(19,20)11-24-14(22)8-4-7-13(21)23-10-9-12-5-2-1-3-6-12/h1-3,5-6,15H,4,7-11H2 |
| InChIKey | IVLGMOSBMZPFFR-UHFFFAOYSA-N |
| Molecular Weight | 350.310 g/mol |
| SMILES | C(CCC(OCC(C(F)F)(F)F)=O)C(OCCC1=CC=CC=C1)=O |