| SpectraBase Compound ID | AB9PwcVpPLF |
|---|---|
| InChI | InChI=1S/C28H54O4/c1-5-9-10-11-16-19-24-31-27(29)20-17-14-12-13-15-18-21-28(30)32-26(8-4)23-22-25(6-2)7-3/h25-26H,5-24H2,1-4H3 |
| InChIKey | OSVNEDACHUXTQI-UHFFFAOYSA-N |
| Mol Weight | 454.7 g/mol |
| Molecular Formula | C28H54O4 |
| Exact Mass | 454.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KzAO6owD1OY |
|---|---|
| Name | Sebacic acid, 6-ethyloct-3-yl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.402210215 u |
| Formula | C28H54O4 |
| InChI | InChI=1S/C28H54O4/c1-5-9-10-11-16-19-24-31-27(29)20-17-14-12-13-15-18-21-28(30)32-26(8-4)23-22-25(6-2)7-3/h25-26H,5-24H2,1-4H3 |
| InChIKey | OSVNEDACHUXTQI-UHFFFAOYSA-N |
| Molecular Weight | 454.736 g/mol |
| SMILES | C(CCCCCCCC(OC(CCC(CC)CC)CC)=O)C(OCCCCCCCC)=O |