| SpectraBase Compound ID | 3MQ1EdEC9Nz |
|---|---|
| InChI | InChI=1S/C20H21FO4/c1-2-3-4-9-14-24-19(22)15-10-5-6-11-16(15)20(23)25-18-13-8-7-12-17(18)21/h5-8,10-13H,2-4,9,14H2,1H3 |
| InChIKey | OMWHHCBGCPGDKU-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 | 69lU1vl8oKl |
|---|---|
| Name | Phthalic acid, 2-fluorophenyl hexyl 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/c1-2-3-4-9-14-24-19(22)15-10-5-6-11-16(15)20(23)25-18-13-8-7-12-17(18)21/h5-8,10-13H,2-4,9,14H2,1H3 |
| InChIKey | OMWHHCBGCPGDKU-UHFFFAOYSA-N |
| Molecular Weight | 344.382 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCC)=O)C(OC1=CC=CC=C1F)=O |