| SpectraBase Compound ID | DzchGxO0ywp |
|---|---|
| InChI | InChI=1S/C15H23F5O4/c1-4-7-8-9-23-11(21)13(5-2,6-3)12(22)24-10-14(16,17)15(18,19)20/h4-10H2,1-3H3 |
| InChIKey | WWWBFICHNVQQAB-UHFFFAOYSA-N |
| Mol Weight | 362.34 g/mol |
| Molecular Formula | C15H23F5O4 |
| Exact Mass | 362.15165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3VQ9bPxErmO |
|---|---|
| Name | Diethylmalonic acid, pentyl 2,2,3,3,3-pentafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.151650032 u |
| Formula | C15H23F5O4 |
| InChI | InChI=1S/C15H23F5O4/c1-4-7-8-9-23-11(21)13(5-2,6-3)12(22)24-10-14(16,17)15(18,19)20/h4-10H2,1-3H3 |
| InChIKey | WWWBFICHNVQQAB-UHFFFAOYSA-N |
| Molecular Weight | 362.337 g/mol |
| SMILES | C(C(C(OCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O |