| SpectraBase Compound ID | EMRXKYpbNWK |
|---|---|
| InChI | InChI=1S/C17H21FO4/c1-2-3-4-5-8-13-21-16(19)11-12-17(20)22-15-10-7-6-9-14(15)18/h6-7,9-12H,2-5,8,13H2,1H3/b12-11+ |
| InChIKey | IRGNZSPXCJQJEP-VAWYXSNFSA-N |
| Mol Weight | 308.35 g/mol |
| Molecular Formula | C17H21FO4 |
| Exact Mass | 308.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AHV61XZzswX |
|---|---|
| Name | Fumaric acid, 2-fluorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.142387315 u |
| Formula | C17H21FO4 |
| InChI | InChI=1S/C17H21FO4/c1-2-3-4-5-8-13-21-16(19)11-12-17(20)22-15-10-7-6-9-14(15)18/h6-7,9-12H,2-5,8,13H2,1H3/b12-11+ |
| InChIKey | IRGNZSPXCJQJEP-VAWYXSNFSA-N |
| Molecular Weight | 308.349 g/mol |
| SMILES | C1(=C(C=CC=C1)OC(\C=C\C(OCCCCCCC)=O)=O)F |