| SpectraBase Compound ID | 9R8jG9pLmRE |
|---|---|
| InChI | InChI=1S/C16H21FO4/c1-12(2)10-11-20-15(18)8-5-9-16(19)21-14-7-4-3-6-13(14)17/h3-4,6-7,12H,5,8-11H2,1-2H3 |
| InChIKey | UFTMOKJHJNBRNS-UHFFFAOYSA-N |
| Mol Weight | 296.34 g/mol |
| Molecular Formula | C16H21FO4 |
| Exact Mass | 296.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CLArkn7aeSh |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.142387315 u |
| Formula | C16H21FO4 |
| InChI | InChI=1S/C16H21FO4/c1-12(2)10-11-20-15(18)8-5-9-16(19)21-14-7-4-3-6-13(14)17/h3-4,6-7,12H,5,8-11H2,1-2H3 |
| InChIKey | UFTMOKJHJNBRNS-UHFFFAOYSA-N |
| Molecular Weight | 296.338 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OCCC(C)C)=O |