| SpectraBase Compound ID | KymiaiKLL2O |
|---|---|
| InChI | InChI=1S/C16H17F5O4/c1-2-3-7-24-10(22)5-4-6-11(23)25-8-9-12(17)14(19)16(21)15(20)13(9)18/h2-8H2,1H3 |
| InChIKey | SZBPFHILOTYCCK-UHFFFAOYSA-N |
| Mol Weight | 368.3 g/mol |
| Molecular Formula | C16H17F5O4 |
| Exact Mass | 368.1047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 38O0sRp6bhU |
|---|---|
| Name | Glutaric acid, butyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.104699838 u |
| Formula | C16H17F5O4 |
| InChI | InChI=1S/C16H17F5O4/c1-2-3-7-24-10(22)5-4-6-11(23)25-8-9-12(17)14(19)16(21)15(20)13(9)18/h2-8H2,1H3 |
| InChIKey | SZBPFHILOTYCCK-UHFFFAOYSA-N |
| Molecular Weight | 368.300 g/mol |
| SMILES | CCCCOC(CCCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)=O |