| SpectraBase Compound ID | 5z4PLTu1k24 |
|---|---|
| InChI | InChI=1S/C17H23FO4/c1-4-7-12-21-15(19)17(5-2,6-3)16(20)22-14-11-9-8-10-13(14)18/h8-11H,4-7,12H2,1-3H3 |
| InChIKey | MSWOVEJZWXHBDQ-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 | A3BB77uCfi3 |
|---|---|
| Name | Diethylmalonic acid, butyl 2-fluorophenyl 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/c1-4-7-12-21-15(19)17(5-2,6-3)16(20)22-14-11-9-8-10-13(14)18/h8-11H,4-7,12H2,1-3H3 |
| InChIKey | MSWOVEJZWXHBDQ-UHFFFAOYSA-N |
| Molecular Weight | 310.365 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OC1=C(C=CC=C1)F)=O)CC |