| SpectraBase Compound ID | Ah5t7EP8baF |
|---|---|
| InChI | InChI=1S/C20H22O4/c1-2-3-4-8-14-23-19(21)16-10-9-11-17(15-16)20(22)24-18-12-6-5-7-13-18/h5-7,9-13,15H,2-4,8,14H2,1H3 |
| InChIKey | GUULQGRNOYOINS-UHFFFAOYSA-N |
| Mol Weight | 326.39 g/mol |
| Molecular Formula | C20H22O4 |
| Exact Mass | 326.151809 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 | 9TzozvoBdAZ |
|---|---|
| Name | Isophthalic acid, hexyl phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.151809184 u |
| Formula | C20H22O4 |
| InChI | InChI=1S/C20H22O4/c1-2-3-4-8-14-23-19(21)16-10-9-11-17(15-16)20(22)24-18-12-6-5-7-13-18/h5-7,9-13,15H,2-4,8,14H2,1H3 |
| InChIKey | GUULQGRNOYOINS-UHFFFAOYSA-N |
| Molecular Weight | 326.392 g/mol |
| SMILES | C1=C(C=CC=C1)OC(C1=CC(=CC=C1)C(OCCCCCC)=O)=O |