| SpectraBase Compound ID | 6WfRUijy7Ek |
|---|---|
| InChI | InChI=1S/C22H26O4/c1-2-3-4-8-15-25-21(23)19-12-9-13-20(17-19)22(24)26-16-14-18-10-6-5-7-11-18/h5-7,9-13,17H,2-4,8,14-16H2,1H3 |
| InChIKey | DMVVRTCCGIAJCT-UHFFFAOYSA-N |
| Mol Weight | 354.45 g/mol |
| Molecular Formula | C22H26O4 |
| Exact Mass | 354.183109 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 | CGLrUlYdmpo |
|---|---|
| Name | Isophthalic acid, hexyl phenylethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.183109313 u |
| Formula | C22H26O4 |
| InChI | InChI=1S/C22H26O4/c1-2-3-4-8-15-25-21(23)19-12-9-13-20(17-19)22(24)26-16-14-18-10-6-5-7-11-18/h5-7,9-13,17H,2-4,8,14-16H2,1H3 |
| InChIKey | DMVVRTCCGIAJCT-UHFFFAOYSA-N |
| Molecular Weight | 354.446 g/mol |
| SMILES | C1(=CC(=CC=C1)C(OCCC1=CC=CC=C1)=O)C(OCCCCCC)=O |