| SpectraBase Compound ID | 4iJzTK62Vp2 |
|---|---|
| InChI | InChI=1S/C13H20F4O4/c1-3-9(2)6-7-20-10(18)4-5-11(19)21-8-13(16,17)12(14)15/h9,12H,3-8H2,1-2H3 |
| InChIKey | KRURQLMBPGKGOO-UHFFFAOYSA-N |
| Mol Weight | 316.29 g/mol |
| Molecular Formula | C13H20F4O4 |
| Exact Mass | 316.129772 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZPQDEDcCDG |
|---|---|
| Name | Succinic acid, 2,2,3,3-tetrafluoropropyl 3-methylpentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.129771772 u |
| Formula | C13H20F4O4 |
| InChI | InChI=1S/C13H20F4O4/c1-3-9(2)6-7-20-10(18)4-5-11(19)21-8-13(16,17)12(14)15/h9,12H,3-8H2,1-2H3 |
| InChIKey | KRURQLMBPGKGOO-UHFFFAOYSA-N |
| Molecular Weight | 316.293 g/mol |
| SMILES | C(CC(OCC(C(F)F)(F)F)=O)C(OCCC(C)CC)=O |