| SpectraBase Compound ID | 49Wbl0SdIEf |
|---|---|
| InChI | InChI=1S/C17H23FO4/c1-12(2)11-21-16(19)9-6-10-17(20)22-13(3)14-7-4-5-8-15(14)18/h4-5,7-8,12-13H,6,9-11H2,1-3H3 |
| InChIKey | SJPABTCTLDLPHX-UHFFFAOYSA-N |
| Mol Weight | 310.37 g/mol |
| Molecular Formula | C17H23FO4 |
| Exact Mass | 310.158037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IzYuN4tYw0z |
|---|---|
| Name | Glutaric acid, 1-(2-fluorophenyl)ethyl isobutyl 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/c1-12(2)11-21-16(19)9-6-10-17(20)22-13(3)14-7-4-5-8-15(14)18/h4-5,7-8,12-13H,6,9-11H2,1-3H3 |
| InChIKey | SJPABTCTLDLPHX-UHFFFAOYSA-N |
| Molecular Weight | 310.365 g/mol |
| SMILES | C(OC(C1=C(C=CC=C1)F)C)(=O)CCCC(OCC(C)C)=O |