| SpectraBase Compound ID | 8wAzrbRK66c |
|---|---|
| InChI | InChI=1S/C19H19FO4/c1-2-3-6-12-23-18(21)14-8-7-9-15(13-14)19(22)24-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3 |
| InChIKey | YFONYOKHYMDXKJ-UHFFFAOYSA-N |
| Mol Weight | 330.36 g/mol |
| Molecular Formula | C19H19FO4 |
| Exact Mass | 330.126737 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 | L506bHFuNeC |
|---|---|
| Name | Isophthalic acid, 2-fluorophenyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.126737251 u |
| Formula | C19H19FO4 |
| InChI | InChI=1S/C19H19FO4/c1-2-3-6-12-23-18(21)14-8-7-9-15(13-14)19(22)24-17-11-5-4-10-16(17)20/h4-5,7-11,13H,2-3,6,12H2,1H3 |
| InChIKey | YFONYOKHYMDXKJ-UHFFFAOYSA-N |
| Molecular Weight | 330.355 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OC1=C(C=CC=C1)F)=O)C(OCCCCC)=O |