| SpectraBase Compound ID | 7P7dsqAXsHQ |
|---|---|
| InChI | InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-14-21-29-25(27)22-17-19-23(20-18-22)26(28)30-24(15-6-3)16-8-5-2/h17-20,24H,4-16,21H2,1-3H3 |
| InChIKey | KBNHHAYQXQPXRL-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C26H42O4 |
| Exact Mass | 418.30831 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 | Aw7cZCb3s4g |
|---|---|
| Name | Terephthalic acid, decyl 4-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 418.308309828 u |
| Formula | C26H42O4 |
| InChI | InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-14-21-29-25(27)22-17-19-23(20-18-22)26(28)30-24(15-6-3)16-8-5-2/h17-20,24H,4-16,21H2,1-3H3 |
| InChIKey | KBNHHAYQXQPXRL-UHFFFAOYSA-N |
| Molecular Weight | 418.618 g/mol |
| SMILES | C1=C(C=CC(=C1)C(OC(CCCC)CCC)=O)C(OCCCCCCCCCC)=O |