| SpectraBase Compound ID | Gd0Ey96wrS7 |
|---|---|
| InChI | InChI=1S/C14H15FO4/c1-10(2)9-18-13(16)6-7-14(17)19-12-5-3-4-11(15)8-12/h3-8,10H,9H2,1-2H3/b7-6+ |
| InChIKey | CPIXWRPWTDHZFP-VOTSOKGWSA-N |
| Mol Weight | 266.27 g/mol |
| Molecular Formula | C14H15FO4 |
| Exact Mass | 266.095437 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DS3PlmOofBS |
|---|---|
| Name | Fumaric acid, 3-fluorophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.095437122 u |
| Formula | C14H15FO4 |
| InChI | InChI=1S/C14H15FO4/c1-10(2)9-18-13(16)6-7-14(17)19-12-5-3-4-11(15)8-12/h3-8,10H,9H2,1-2H3/b7-6+ |
| InChIKey | CPIXWRPWTDHZFP-VOTSOKGWSA-N |
| Molecular Weight | 266.268 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC(=C1)F)=O)(OCC(C)C)=O |