| SpectraBase Compound ID | 4lRqO5sJl1u |
|---|---|
| InChI | InChI=1S/C15H19FO2/c1-3-18-15(17)14(10-9-12(2)16)11-13-7-5-4-6-8-13/h4-10,12,14H,3,11H2,1-2H3/b10-9+/t12-,14-/m1/s1 |
| InChIKey | DNCCCNUCKLMDBB-SNYUGRAUSA-N |
| Mol Weight | 250.31 g/mol |
| Molecular Formula | C15H19FO2 |
| Exact Mass | 250.136908 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KjYGoU1OqJN |
|---|---|
| Name | (syn)-(E)-Ethyl-2-benzyl-5-fluorohex-3-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.136908013 u |
| Formula | C15H19FO2 |
| InChI | InChI=1S/C15H19FO2/c1-3-18-15(17)14(10-9-12(2)16)11-13-7-5-4-6-8-13/h4-10,12,14H,3,11H2,1-2H3/b10-9+/t12-,14-/m1/s1 |
| InChIKey | DNCCCNUCKLMDBB-SNYUGRAUSA-N |
| Molecular Weight | 250.313 g/mol |
| SMILES | [C@](F)(C)(\C=C\[C@](CC1=CC=CC=C1)(C(=O)OCC)[H])[H] |