| SpectraBase Compound ID | 1WKTQY3bCxr |
|---|---|
| InChI | InChI=1S/C21H32O4/c1-4-7-8-9-16-24-20(22)17-12-14-18(15-13-17)21(23)25-19(10-5-2)11-6-3/h12-15,19H,4-11,16H2,1-3H3 |
| InChIKey | WFROFKNXFCILIH-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 | 1wfbOXWWL1n |
|---|---|
| Name | Terephthalic acid, 4-heptyl hexyl 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/c1-4-7-8-9-16-24-20(22)17-12-14-18(15-13-17)21(23)25-19(10-5-2)11-6-3/h12-15,19H,4-11,16H2,1-3H3 |
| InChIKey | WFROFKNXFCILIH-UHFFFAOYSA-N |
| Molecular Weight | 348.483 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(CCC)CCC)=O)C(OCCCCCC)=O |