| SpectraBase Compound ID | 3PjFNZCNszk |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-5-7-15-19-27-23(25)17-13-11-9-10-12-14-18-24(26)28-22(16-8-6-2)20-21(3)4/h21-22H,5-7,9-15,17-20H2,1-4H3 |
| InChIKey | MVZSWVXKWIIMOW-UHFFFAOYSA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C24H42O4 |
| Exact Mass | 394.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IewSdhelhAY |
|---|---|
| Name | Sebacic acid, 2-methyloct-5-yn-4-yl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.308309828 u |
| Formula | C24H42O4 |
| InChI | InChI=1S/C24H42O4/c1-5-7-15-19-27-23(25)17-13-11-9-10-12-14-18-24(26)28-22(16-8-6-2)20-21(3)4/h21-22H,5-7,9-15,17-20H2,1-4H3 |
| InChIKey | MVZSWVXKWIIMOW-UHFFFAOYSA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(CCC(OC(C#CCC)CC(C)C)=O)CCCCCC(OCCCCC)=O |