| SpectraBase Compound ID | 4kLxpSRoRz3 |
|---|---|
| InChI | InChI=1S/C13H11F5O4/c1-2-21-6(19)4-3-5-7(20)22-13-11(17)9(15)8(14)10(16)12(13)18/h2-5H2,1H3 |
| InChIKey | ZDRSJTSCTLYWMD-UHFFFAOYSA-N |
| Mol Weight | 326.22 g/mol |
| Molecular Formula | C13H11F5O4 |
| Exact Mass | 326.05775 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2udeE5RMbii |
|---|---|
| Name | Glutaric acid, ethyl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.057749645 u |
| Formula | C13H11F5O4 |
| InChI | InChI=1S/C13H11F5O4/c1-2-21-6(19)4-3-5-7(20)22-13-11(17)9(15)8(14)10(16)12(13)18/h2-5H2,1H3 |
| InChIKey | ZDRSJTSCTLYWMD-UHFFFAOYSA-N |
| Molecular Weight | 326.219 g/mol |
| SMILES | C1(=C(C(F)=C(OC(=O)CCCC(OCC)=O)C(=C1F)F)F)F |