| SpectraBase Compound ID | EhagqdGphot |
|---|---|
| InChI | InChI=1S/C17H29F3O4/c1-5-8-9-10-11-12-23-14(21)16(6-2,7-3)15(22)24-13(4)17(18,19)20/h13H,5-12H2,1-4H3 |
| InChIKey | JCZGOAUZRBUVAU-UHFFFAOYSA-N |
| Mol Weight | 354.41 g/mol |
| Molecular Formula | C17H29F3O4 |
| Exact Mass | 354.201794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1e0avovGuJ7 |
|---|---|
| Name | Diethylmalonic acid, heptyl 1,1,1-trifluoroprop-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.201793899 u |
| Formula | C17H29F3O4 |
| InChI | InChI=1S/C17H29F3O4/c1-5-8-9-10-11-12-23-14(21)16(6-2,7-3)15(22)24-13(4)17(18,19)20/h13H,5-12H2,1-4H3 |
| InChIKey | JCZGOAUZRBUVAU-UHFFFAOYSA-N |
| Molecular Weight | 354.410 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)(CC)CC)(OC(C(F)(F)F)C)=O |