| SpectraBase Compound ID | 1Q3zVtpxWTi |
|---|---|
| InChI | InChI=1S/C13H18F4O4/c1-3-5-9(2)21-11(19)7-4-6-10(18)20-8-13(16,17)12(14)15/h3,9,12H,1,4-8H2,2H3 |
| InChIKey | GCPJXUWPHORBRI-UHFFFAOYSA-N |
| Mol Weight | 314.28 g/mol |
| Molecular Formula | C13H18F4O4 |
| Exact Mass | 314.114122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pr6rKTQt8n |
|---|---|
| Name | Glutaric acid, 2,2,3,3-tetrafluoropropyl pent-4-en-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.114121708 u |
| Formula | C13H18F4O4 |
| InChI | InChI=1S/C13H18F4O4/c1-3-5-9(2)21-11(19)7-4-6-10(18)20-8-13(16,17)12(14)15/h3,9,12H,1,4-8H2,2H3 |
| InChIKey | GCPJXUWPHORBRI-UHFFFAOYSA-N |
| Molecular Weight | 314.277 g/mol |
| SMILES | C(CCC(OCC(C(F)F)(F)F)=O)C(OC(C)CC=C)=O |