| SpectraBase Compound ID | GqfjwGDECBP |
|---|---|
| InChI | InChI=1S/C16H19FO4/c1-2-20-15(18)11-7-3-4-8-12(11)16(19)21-14-10-6-5-9-13(14)17/h5-6,9-12H,2-4,7-8H2,1H3 |
| InChIKey | ZWTDJXITALZSQN-UHFFFAOYSA-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 | 3CfE1PVVZbT |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, ethyl 2-fluorophenyl 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/c1-2-20-15(18)11-7-3-4-8-12(11)16(19)21-14-10-6-5-9-13(14)17/h5-6,9-12H,2-4,7-8H2,1H3 |
| InChIKey | ZWTDJXITALZSQN-UHFFFAOYSA-N |
| Molecular Weight | 294.322 g/mol |
| SMILES | C1=CC=C(C(=C1)F)OC(C1CCCCC1C(OCC)=O)=O |