| SpectraBase Compound ID | HcsrK03iCA3 |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-4-5-6-7-10-13-16-20-27-23(25)17-14-11-8-9-12-15-18-24(26)28-21-19-22(2)3/h19H,4-18,20-21H2,1-3H3 |
| InChIKey | YYKBBJWZNHUKIB-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LsuHr6m2fAr |
|---|---|
| Name | Sebacic acid, 3-methylbut-2-enyl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-4-5-6-7-10-13-16-20-27-23(25)17-14-11-8-9-12-15-18-24(26)28-21-19-22(2)3/h19H,4-18,20-21H2,1-3H3 |
| InChIKey | YYKBBJWZNHUKIB-UHFFFAOYSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(CCCCCCCCC(OCCCCCCCCC)=O)(OCC=C(C)C)=O |