| SpectraBase Compound ID | DBJlyTzk65e |
|---|---|
| InChI | InChI=1S/C13H18F4O4/c1-9(2)6-7-20-10(18)4-3-5-11(19)21-8-13(16,17)12(14)15/h6,12H,3-5,7-8H2,1-2H3 |
| InChIKey | LDHLZJFWLWGNGI-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 | 5l6xMulu1Gg |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-en-1-yl 2,2,3,3-tetrafluoropropyl 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/c1-9(2)6-7-20-10(18)4-3-5-11(19)21-8-13(16,17)12(14)15/h6,12H,3-5,7-8H2,1-2H3 |
| InChIKey | LDHLZJFWLWGNGI-UHFFFAOYSA-N |
| Molecular Weight | 314.277 g/mol |
| SMILES | C(CCC(OCC=C(C)C)=O)C(OCC(C(F)F)(F)F)=O |