| SpectraBase Compound ID | BJJ7i6VXTXO |
|---|---|
| InChI | InChI=1S/C20H21FO4/c1-2-3-13-24-19(22)16-9-5-6-10-17(16)20(23)25-14-12-15-8-4-7-11-18(15)21/h4-11H,2-3,12-14H2,1H3 |
| InChIKey | FIHUVZCPRYTEGS-UHFFFAOYSA-N |
| Mol Weight | 344.38 g/mol |
| Molecular Formula | C20H21FO4 |
| Exact Mass | 344.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A7OPIGXfCsd |
|---|---|
| Name | Phthalic acid, butyl 2-(2-fluorophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.142387315 u |
| Formula | C20H21FO4 |
| InChI | InChI=1S/C20H21FO4/c1-2-3-13-24-19(22)16-9-5-6-10-17(16)20(23)25-14-12-15-8-4-7-11-18(15)21/h4-11H,2-3,12-14H2,1H3 |
| InChIKey | FIHUVZCPRYTEGS-UHFFFAOYSA-N |
| Molecular Weight | 344.382 g/mol |
| SMILES | C(C1=CC=CC=C1C(OCCC1=CC=CC=C1F)=O)(OCCCC)=O |