| SpectraBase Compound ID | F2qpIwQgJ00 |
|---|---|
| InChI | InChI=1S/C16H19FO4/c1-12(2)6-5-11-20-15(18)9-10-16(19)21-14-8-4-3-7-13(14)17/h3-4,7-10,12H,5-6,11H2,1-2H3/b10-9+ |
| InChIKey | YSJZWVRBSYLMLE-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 | IAx2RWPu8Fu |
|---|---|
| Name | Fumaric acid, 2-fluorophenyl isohexyl 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/c1-12(2)6-5-11-20-15(18)9-10-16(19)21-14-8-4-3-7-13(14)17/h3-4,7-10,12H,5-6,11H2,1-2H3/b10-9+ |
| InChIKey | YSJZWVRBSYLMLE-MDZDMXLPSA-N |
| Molecular Weight | 294.322 g/mol |
| SMILES | C1(=CC=CC=C1F)OC(\C=C\C(OCCCC(C)C)=O)=O |