| SpectraBase Compound ID | Bn9Db3XrzVX |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-7-8-9-15-24-20(22)17-13-10-14-18(16-17)21(23)25-19(11-5-2)12-6-3/h10,13-14,16,19H,4-9,11-12,15H2,1-3H3 |
| InChIKey | WEZALSJFLSXKPL-UHFFFAOYSA-N |
| Mol Weight | 348.5 g/mol |
| Molecular Formula | C21H32O4 |
| Exact Mass | 348.23006 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 | 4cV7rMGM5nf |
|---|---|
| Name | Isophthalic acid, hexyl 1-propylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.230059506 u |
| Formula | C21H32O4 |
| InChI | InChI=1S/C21H32O4/c1-4-7-8-9-15-24-20(22)17-13-10-14-18(16-17)21(23)25-19(11-5-2)12-6-3/h10,13-14,16,19H,4-9,11-12,15H2,1-3H3 |
| InChIKey | WEZALSJFLSXKPL-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1=CC(=CC(=C1)C(=O)OCCCCCC)C(OC(CCC)CCC)=O |