| SpectraBase Compound ID | K2oAaDVUNnC |
|---|---|
| InChI | InChI=1S/C18H21F5O5/c1-2-3-4-8-26-11(24)6-5-7-12(25)27-9-10-28-18-16(22)14(20)13(19)15(21)17(18)23/h2-10H2,1H3 |
| InChIKey | VKAUBUJETYPEOH-UHFFFAOYSA-N |
| Mol Weight | 412.35 g/mol |
| Molecular Formula | C18H21F5O5 |
| Exact Mass | 412.130915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HieSo6M5ZMX |
|---|---|
| Name | Glutaric acid, 2-(pentafluorophenoxy)ethyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.130914586 u |
| Formula | C18H21F5O5 |
| InChI | InChI=1S/C18H21F5O5/c1-2-3-4-8-26-11(24)6-5-7-12(25)27-9-10-28-18-16(22)14(20)13(19)15(21)17(18)23/h2-10H2,1H3 |
| InChIKey | VKAUBUJETYPEOH-UHFFFAOYSA-N |
| Molecular Weight | 412.353 g/mol |
| SMILES | C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCC(OCCCCC)=O |