| SpectraBase Compound ID | 7XjeB5A8wre |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-5-6-7-8-11-14-17-20-27-22(25)18-15-12-9-10-13-16-19-23(26)28-21-24(2,3)4/h5-21H2,1-4H3 |
| InChIKey | SWNLJDCCPFGQPZ-UHFFFAOYSA-N |
| Mol Weight | 398.6 g/mol |
| Molecular Formula | C24H46O4 |
| Exact Mass | 398.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWicmEjcJEg |
|---|---|
| Name | Sebacic acid, neopentyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.339609957 u |
| Formula | C24H46O4 |
| InChI | InChI=1S/C24H46O4/c1-5-6-7-8-11-14-17-20-27-22(25)18-15-12-9-10-13-16-19-23(26)28-21-24(2,3)4/h5-21H2,1-4H3 |
| InChIKey | SWNLJDCCPFGQPZ-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(CCCCCCCC(OCC(C)(C)C)=O)C(OCCCCCCCCC)=O |