| SpectraBase Compound ID | 9iHQVzP9jjZ |
|---|---|
| InChI | InChI=1S/C15H17FO4/c1-3-6-11(2)19-14(17)9-10-15(18)20-13-8-5-4-7-12(13)16/h4-5,7-11H,3,6H2,1-2H3/b10-9+ |
| InChIKey | WEKBUCGGTOVYJT-MDZDMXLPSA-N |
| Mol Weight | 280.3 g/mol |
| Molecular Formula | C15H17FO4 |
| Exact Mass | 280.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 309it0J6t4x |
|---|---|
| Name | Fumaric acid, 2-pentyl 2-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.111087186 u |
| Formula | C15H17FO4 |
| InChI | InChI=1S/C15H17FO4/c1-3-6-11(2)19-14(17)9-10-15(18)20-13-8-5-4-7-12(13)16/h4-5,7-11H,3,6H2,1-2H3/b10-9+ |
| InChIKey | WEKBUCGGTOVYJT-MDZDMXLPSA-N |
| Molecular Weight | 280.295 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC=C1F)=O)(OC(CCC)C)=O |