| SpectraBase Compound ID | JAf9MdSxEt5 |
|---|---|
| InChI | InChI=1S/C16H21FO4/c1-11(2)12(3)20-15(18)9-6-10-16(19)21-14-8-5-4-7-13(14)17/h4-5,7-8,11-12H,6,9-10H2,1-3H3 |
| InChIKey | AVRZNTVJXBTFQS-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 | 7MbZz6EHjzq |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 3-methylbut-2-yl 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/c1-11(2)12(3)20-15(18)9-6-10-16(19)21-14-8-5-4-7-13(14)17/h4-5,7-8,11-12H,6,9-10H2,1-3H3 |
| InChIKey | AVRZNTVJXBTFQS-UHFFFAOYSA-N |
| Molecular Weight | 296.338 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OC(C(C)C)C)=O |