| SpectraBase Compound ID | BFRerqL0LPU |
|---|---|
| InChI | InChI=1S/C18H29F5O4/c1-4-7-8-9-10-11-12-26-14(24)16(5-2,6-3)15(25)27-13-17(19,20)18(21,22)23/h4-13H2,1-3H3 |
| InChIKey | JZZGUSXKLJMZGZ-UHFFFAOYSA-N |
| Mol Weight | 404.42 g/mol |
| Molecular Formula | C18H29F5O4 |
| Exact Mass | 404.1986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7wd9fdadKJh |
|---|---|
| Name | Diethylmalonic acid, 2,2,3,3,3-pentafluoropropyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 404.198600225 u |
| Formula | C18H29F5O4 |
| InChI | InChI=1S/C18H29F5O4/c1-4-7-8-9-10-11-12-26-14(24)16(5-2,6-3)15(25)27-13-17(19,20)18(21,22)23/h4-13H2,1-3H3 |
| InChIKey | JZZGUSXKLJMZGZ-UHFFFAOYSA-N |
| Molecular Weight | 404.418 g/mol |
| SMILES | C(C(C(OCCCCCCCC)=O)(CC)CC)(OCC(F)(F)C(F)(F)F)=O |