| SpectraBase Compound ID | KuJQ3zv4x83 |
|---|---|
| InChI | InChI=1S/C21H23FO4/c1-2-3-4-5-6-13-25-20(23)16-9-7-10-17(14-16)21(24)26-19-12-8-11-18(22)15-19/h7-12,14-15H,2-6,13H2,1H3 |
| InChIKey | IQWXLYPWBWUXMT-UHFFFAOYSA-N |
| Mol Weight | 358.41 g/mol |
| Molecular Formula | C21H23FO4 |
| Exact Mass | 358.158037 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 | L8o1OHBqqGX |
|---|---|
| Name | Isophthalic acid, 3-fluorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.158037380 u |
| Formula | C21H23FO4 |
| InChI | InChI=1S/C21H23FO4/c1-2-3-4-5-6-13-25-20(23)16-9-7-10-17(14-16)21(24)26-19-12-8-11-18(22)15-19/h7-12,14-15H,2-6,13H2,1H3 |
| InChIKey | IQWXLYPWBWUXMT-UHFFFAOYSA-N |
| Molecular Weight | 358.409 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OC1=CC(=CC=C1)F)=O)C(OCCCCCCC)=O |