| SpectraBase Compound ID | DpczdUNcj2O |
|---|---|
| InChI | InChI=1S/C17H25F7O4/c1-2-3-4-5-6-7-11-27-13(25)9-8-10-14(26)28-12-15(18,19)16(20,21)17(22,23)24/h2-12H2,1H3 |
| InChIKey | SDFLHZQHOPCPQH-UHFFFAOYSA-N |
| Mol Weight | 426.37 g/mol |
| Molecular Formula | C17H25F7O4 |
| Exact Mass | 426.164106 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6B3atyGaP5 |
|---|---|
| Name | Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 426.164106422 u |
| Formula | C17H25F7O4 |
| InChI | InChI=1S/C17H25F7O4/c1-2-3-4-5-6-7-11-27-13(25)9-8-10-14(26)28-12-15(18,19)16(20,21)17(22,23)24/h2-12H2,1H3 |
| InChIKey | SDFLHZQHOPCPQH-UHFFFAOYSA-N |
| Molecular Weight | 426.372 g/mol |
| SMILES | C(OCC(C(C(F)(F)F)(F)F)(F)F)(=O)CCCC(OCCCCCCCC)=O |