| SpectraBase Compound ID | FQCtWl0NSjx |
|---|---|
| InChI | InChI=1S/C16H19FO4/c1-3-12(4-2)11-20-15(18)9-10-16(19)21-14-8-6-5-7-13(14)17/h5-10,12H,3-4,11H2,1-2H3/b10-9+ |
| InChIKey | GHVSTNBJCIXJMB-MDZDMXLPSA-N |
| Mol Weight | 294.32 g/mol |
| Molecular Formula | C16H19FO4 |
| Exact Mass | 294.126737 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EX2aTbuCDyp |
|---|---|
| Name | Fumaric acid, 2-ethylbutyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.126737251 u |
| Formula | C16H19FO4 |
| InChI | InChI=1S/C16H19FO4/c1-3-12(4-2)11-20-15(18)9-10-16(19)21-14-8-6-5-7-13(14)17/h5-10,12H,3-4,11H2,1-2H3/b10-9+ |
| InChIKey | GHVSTNBJCIXJMB-MDZDMXLPSA-N |
| Molecular Weight | 294.322 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OCC(CC)CC)=O |