| SpectraBase Compound ID | 9hhtLTP76It |
|---|---|
| InChI | InChI=1S/C18H29F5O4/c1-3-4-5-6-7-8-10-14(2)27-16(25)12-9-11-15(24)26-13-17(19,20)18(21,22)23/h14H,3-13H2,1-2H3 |
| InChIKey | JTWCBEYEUSKHAB-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 | CaVaW84lTHl |
|---|---|
| Name | Glutaric acid, dec-2-yl 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 | 404.198600225 u |
| Formula | C18H29F5O4 |
| InChI | InChI=1S/C18H29F5O4/c1-3-4-5-6-7-8-10-14(2)27-16(25)12-9-11-15(24)26-13-17(19,20)18(21,22)23/h14H,3-13H2,1-2H3 |
| InChIKey | JTWCBEYEUSKHAB-UHFFFAOYSA-N |
| Molecular Weight | 404.418 g/mol |
| SMILES | C(CCC(OC(C)CCCCCCCC)=O)C(OCC(C(F)(F)F)(F)F)=O |