| SpectraBase Compound ID | 23xzOkgZ4L3 |
|---|---|
| InChI | InChI=1S/C16H17F5O5/c1-2-6-24-9(22)4-3-5-10(23)25-7-8-26-16-14(20)12(18)11(17)13(19)15(16)21/h2-8H2,1H3 |
| InChIKey | BNYKUABOBJSPJG-UHFFFAOYSA-N |
| Mol Weight | 384.3 g/mol |
| Molecular Formula | C16H17F5O5 |
| Exact Mass | 384.099614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AZgAATxJnbU |
|---|---|
| Name | Glutaric acid, 2-(pentafluorophenoxy)ethyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.099614457 u |
| Formula | C16H17F5O5 |
| InChI | InChI=1S/C16H17F5O5/c1-2-6-24-9(22)4-3-5-10(23)25-7-8-26-16-14(20)12(18)11(17)13(19)15(16)21/h2-8H2,1H3 |
| InChIKey | BNYKUABOBJSPJG-UHFFFAOYSA-N |
| Molecular Weight | 384.299 g/mol |
| SMILES | C(OCCOC1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCC(OCCC)=O |