| SpectraBase Compound ID | 3ZB4K51ZYAa |
|---|---|
| InChI | InChI=1S/C26H42O4/c1-2-3-4-5-6-9-12-18-23-29-25(27)21-16-10-7-8-11-17-22-26(28)30-24-19-14-13-15-20-24/h13-15,19-20H,2-12,16-18,21-23H2,1H3 |
| InChIKey | IBDGXRVAECOOFA-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 | 3n29lxTW1cf |
|---|---|
| Name | Sebacic acid, decyl phenyl 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/c1-2-3-4-5-6-9-12-18-23-29-25(27)21-16-10-7-8-11-17-22-26(28)30-24-19-14-13-15-20-24/h13-15,19-20H,2-12,16-18,21-23H2,1H3 |
| InChIKey | IBDGXRVAECOOFA-UHFFFAOYSA-N |
| Molecular Weight | 418.618 g/mol |
| SMILES | C(CCCCC(OC1=CC=CC=C1)=O)CCCC(OCCCCCCCCCC)=O |