| SpectraBase Compound ID | 1Z5Qfa7WCiN |
|---|---|
| InChI | InChI=1S/C20H36O2/c1-3-5-7-9-11-12-14-16-18-20(21)22-19-17-15-13-10-8-6-4-2/h1H,4-19H2,2H3 |
| InChIKey | XLFKMHBUVLALDA-UHFFFAOYSA-N |
| Mol Weight | 308.5 g/mol |
| Molecular Formula | C20H36O2 |
| Exact Mass | 308.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LgUj0SPA9qy |
|---|---|
| Name | Undec-10-ynoic acid, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.271530397 u |
| Formula | C20H36O2 |
| InChI | InChI=1S/C20H36O2/c1-3-5-7-9-11-12-14-16-18-20(21)22-19-17-15-13-10-8-6-4-2/h1H,4-19H2,2H3 |
| InChIKey | XLFKMHBUVLALDA-UHFFFAOYSA-N |
| Molecular Weight | 308.506 g/mol |
| SMILES | C(CCCC(OCCCCCCCCC)=O)CCCCC#C |