| SpectraBase Compound ID | BbmaCrVX5a4 |
|---|---|
| InChI | InChI=1S/C24H46O4/c1-6-7-8-9-14-17-20-27-22(25)18-15-12-10-11-13-16-19-23(26)28-21(2)24(3,4)5/h21H,6-20H2,1-5H3 |
| InChIKey | XOAZEUKLDBXMSN-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 | 9PETiqU2WaX |
|---|---|
| Name | Sebacic acid, 3,3-dimethylbut-2-yl octyl 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/c1-6-7-8-9-14-17-20-27-22(25)18-15-12-10-11-13-16-19-23(26)28-21(2)24(3,4)5/h21H,6-20H2,1-5H3 |
| InChIKey | XOAZEUKLDBXMSN-UHFFFAOYSA-N |
| Molecular Weight | 398.628 g/mol |
| SMILES | C(CCCCCCCCC(OC(C(C)(C)C)C)=O)(OCCCCCCCC)=O |