| SpectraBase Compound ID | 8Wn74orhLIx |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-6-7-14-21(17-19(2)3)27-23(25)16-13-11-9-8-10-12-15-22(24)26-18-20(4)5/h19-21H,6,8-13,15-18H2,1-5H3 |
| InChIKey | FTJFBSKXDUBRQU-UHFFFAOYSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O4 |
| Exact Mass | 380.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFOXkrdhdLj |
|---|---|
| Name | Sebacic acid, isobutyl 2-methyloct-5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.292659764 u |
| Formula | C23H40O4 |
| InChI | InChI=1S/C23H40O4/c1-6-7-14-21(17-19(2)3)27-23(25)16-13-11-9-8-10-12-15-22(24)26-18-20(4)5/h19-21H,6,8-13,15-18H2,1-5H3 |
| InChIKey | FTJFBSKXDUBRQU-UHFFFAOYSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C(CCC(OC(C#CCC)CC(C)C)=O)CCCCCC(OCC(C)C)=O |