| SpectraBase Compound ID | 5oEhyzvJPVr |
|---|---|
| InChI | InChI=1S/C18H25FO5/c1-5-8-11-23-16(20)18(6-2,7-3)17(21)24-14-10-9-13(19)12-15(14)22-4/h9-10,12H,5-8,11H2,1-4H3 |
| InChIKey | AZMZSPAXYZMXGU-UHFFFAOYSA-N |
| Mol Weight | 340.39 g/mol |
| Molecular Formula | C18H25FO5 |
| Exact Mass | 340.168602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EesygDA6dKi |
|---|---|
| Name | Diethylmalonic acid, butyl 4-fluoro-2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.168602063 u |
| Formula | C18H25FO5 |
| InChI | InChI=1S/C18H25FO5/c1-5-8-11-23-16(20)18(6-2,7-3)17(21)24-14-10-9-13(19)12-15(14)22-4/h9-10,12H,5-8,11H2,1-4H3 |
| InChIKey | AZMZSPAXYZMXGU-UHFFFAOYSA-N |
| Molecular Weight | 340.391 g/mol |
| SMILES | C(C(C(OCCCC)=O)(CC)CC)(OC1=CC=C(C=C1OC)F)=O |