| SpectraBase Compound ID | GL47D3fj3as |
|---|---|
| InChI | InChI=1S/C17H27F5O4/c1-4-7-8-9-10-11-25-13(23)15(5-2,6-3)14(24)26-12-16(18,19)17(20,21)22/h4-12H2,1-3H3 |
| InChIKey | LDCWGWQLXMGCRS-UHFFFAOYSA-N |
| Mol Weight | 390.39 g/mol |
| Molecular Formula | C17H27F5O4 |
| Exact Mass | 390.18295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6egeNaGy3iC |
|---|---|
| Name | Diethylmalonic acid, heptyl 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 | 390.182950160 u |
| Formula | C17H27F5O4 |
| InChI | InChI=1S/C17H27F5O4/c1-4-7-8-9-10-11-25-13(23)15(5-2,6-3)14(24)26-12-16(18,19)17(20,21)22/h4-12H2,1-3H3 |
| InChIKey | LDCWGWQLXMGCRS-UHFFFAOYSA-N |
| Molecular Weight | 390.391 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O |