| SpectraBase Compound ID | IIzExdbD4xK |
|---|---|
| InChI | InChI=1S/C26H42O4/c1-3-4-5-6-11-14-21-29-25(27)15-12-9-7-8-10-13-16-26(28)30-22-24-19-17-23(2)18-20-24/h17-20H,3-16,21-22H2,1-2H3 |
| InChIKey | RTRZKNZLYNGFSK-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 | 95CVZH0JNBF |
|---|---|
| Name | Sebacic acid, 4-methylbenzyl 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/c1-3-4-5-6-11-14-21-29-25(27)15-12-9-7-8-10-13-16-26(28)30-22-24-19-17-23(2)18-20-24/h17-20H,3-16,21-22H2,1-2H3 |
| InChIKey | RTRZKNZLYNGFSK-UHFFFAOYSA-N |
| Molecular Weight | 418.618 g/mol |
| SMILES | C(CCCCCCC(OCCCCCCCC)=O)CC(OCC=1C=CC(=CC1)C)=O |