| SpectraBase Compound ID | LZROaHK9iV0 |
|---|---|
| InChI | InChI=1S/C17H23FO4/c1-3-4-12-21-16(19)10-7-11-17(20)22-13(2)14-8-5-6-9-15(14)18/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3 |
| InChIKey | ODPXNWPFABTGFJ-UHFFFAOYSA-N |
| Mol Weight | 310.37 g/mol |
| Molecular Formula | C17H23FO4 |
| Exact Mass | 310.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gm9uAgS9VPU |
|---|---|
| Name | Glutaric acid, butyl 1-(2-fluorophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.158037380 u |
| Formula | C17H23FO4 |
| InChI | InChI=1S/C17H23FO4/c1-3-4-12-21-16(19)10-7-11-17(20)22-13(2)14-8-5-6-9-15(14)18/h5-6,8-9,13H,3-4,7,10-12H2,1-2H3 |
| InChIKey | ODPXNWPFABTGFJ-UHFFFAOYSA-N |
| Molecular Weight | 310.365 g/mol |
| SMILES | C(OC(C1=C(C=CC=C1)F)C)(=O)CCCC(OCCCC)=O |