| SpectraBase Compound ID | 5XiD5emAh1W |
|---|---|
| InChI | InChI=1S/C20H21FO4/c1-14(2)13-25-20(23)17-9-7-16(8-10-17)19(22)24-12-11-15-5-3-4-6-18(15)21/h3-10,14H,11-13H2,1-2H3 |
| InChIKey | GJFZYHRYUGGCHI-UHFFFAOYSA-N |
| Mol Weight | 344.38 g/mol |
| Molecular Formula | C20H21FO4 |
| Exact Mass | 344.142387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JaSiHYUKQyu |
|---|---|
| Name | Terephthalic acid, isobutyl 2-fluorophenethyl 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/c1-14(2)13-25-20(23)17-9-7-16(8-10-17)19(22)24-12-11-15-5-3-4-6-18(15)21/h3-10,14H,11-13H2,1-2H3 |
| InChIKey | GJFZYHRYUGGCHI-UHFFFAOYSA-N |
| Molecular Weight | 344.382 g/mol |
| SMILES | C1(=CC=C(C=C1)C(OCC(C)C)=O)C(=O)OCCC1=C(C=CC=C1)F |