| SpectraBase Compound ID | AlOKUkAZyC0 |
|---|---|
| InChI | InChI=1S/C22H40O2/c1-3-5-7-9-11-13-15-17-19-21-24-22(23)20-18-16-14-12-10-8-6-4-2/h2H,3,5-21H2,1H3 |
| InChIKey | WJDYXMOOBBAZOX-UHFFFAOYSA-N |
| Mol Weight | 336.6 g/mol |
| Molecular Formula | C22H40O2 |
| Exact Mass | 336.302831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4MSUJcwC0K |
|---|---|
| Name | Undec-10-ynoic acid, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.302830526 u |
| Formula | C22H40O2 |
| InChI | InChI=1S/C22H40O2/c1-3-5-7-9-11-13-15-17-19-21-24-22(23)20-18-16-14-12-10-8-6-4-2/h2H,3,5-21H2,1H3 |
| InChIKey | WJDYXMOOBBAZOX-UHFFFAOYSA-N |
| Molecular Weight | 336.560 g/mol |
| SMILES | C(CCCC(OCCCCCCCCCCC)=O)CCCCC#C |