| SpectraBase Compound ID | 5F9Euukz2Mv |
|---|---|
| InChI | InChI=1S/C25H44O4/c1-4-7-8-9-12-15-18-22-28-24(26)20-16-13-10-11-14-17-21-25(27)29-23(6-3)19-5-2/h23H,4,6-18,20-22H2,1-3H3 |
| InChIKey | HJODMVPSAJZVDR-UHFFFAOYSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C25H44O4 |
| Exact Mass | 408.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ao1fjtB9aKn |
|---|---|
| Name | Sebacic acid, hex-4-yn-3-yl nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.323959893 u |
| Formula | C25H44O4 |
| InChI | InChI=1S/C25H44O4/c1-4-7-8-9-12-15-18-22-28-24(26)20-16-13-10-11-14-17-21-25(27)29-23(6-3)19-5-2/h23H,4,6-18,20-22H2,1-3H3 |
| InChIKey | HJODMVPSAJZVDR-UHFFFAOYSA-N |
| Molecular Weight | 408.623 g/mol |
| SMILES | C(OC(CCCCCCCCC(OCCCCCCCCC)=O)=O)(C#CC)CC |