| SpectraBase Compound ID | 4ubrhacKhcO |
|---|---|
| InChI | InChI=1S/C26H42O4/c1-4-6-8-10-12-14-16-22(3)30-26(28)24-19-17-23(18-20-24)25(27)29-21-15-13-11-9-7-5-2/h17-20,22H,4-16,21H2,1-3H3 |
| InChIKey | AGUBEKOVELPQNC-UHFFFAOYSA-N |
| Mol Weight | 418.6 g/mol |
| Molecular Formula | C26H42O4 |
| Exact Mass | 418.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYCpSbuFGAX |
|---|---|
| Name | Terephthalic acid, 2-decyl 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/c1-4-6-8-10-12-14-16-22(3)30-26(28)24-19-17-23(18-20-24)25(27)29-21-15-13-11-9-7-5-2/h17-20,22H,4-16,21H2,1-3H3 |
| InChIKey | AGUBEKOVELPQNC-UHFFFAOYSA-N |
| Molecular Weight | 418.618 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCCCCCCC)=O)C(OC(CCCCCCCC)C)=O |