| SpectraBase Compound ID | JB1JlraU2uk |
|---|---|
| InChI | InChI=1S/C18H25FO4/c1-4-7-8-12-22-16(20)18(5-2,6-3)17(21)23-15-11-9-10-14(19)13-15/h9-11,13H,4-8,12H2,1-3H3 |
| InChIKey | BCFPIXKAHFZDOQ-UHFFFAOYSA-N |
| Mol Weight | 324.39 g/mol |
| Molecular Formula | C18H25FO4 |
| Exact Mass | 324.173687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdigUVAFzS3 |
|---|---|
| Name | Diethylmalonic acid, 3-fluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.173687444 u |
| Formula | C18H25FO4 |
| InChI | InChI=1S/C18H25FO4/c1-4-7-8-12-22-16(20)18(5-2,6-3)17(21)23-15-11-9-10-14(19)13-15/h9-11,13H,4-8,12H2,1-3H3 |
| InChIKey | BCFPIXKAHFZDOQ-UHFFFAOYSA-N |
| Molecular Weight | 324.392 g/mol |
| SMILES | CCC(C(OCCCCC)=O)(C(OC1=CC(=CC=C1)F)=O)CC |