| SpectraBase Compound ID | 4mPHIPQKg01 |
|---|---|
| InChI | InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-6,9,12-20H2,1-2H3/b11-10- |
| InChIKey | KYRIAWNGCNHEDA-KHPPLWFESA-N |
| Mol Weight | 320.5 g/mol |
| Molecular Formula | C21H36O2 |
| Exact Mass | 320.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GfRFsLygJUC |
|---|---|
| Name | Methyl eicos-11-en-14-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.271530397 u |
| Formula | C21H36O2 |
| InChI | InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-6,9,12-20H2,1-2H3/b11-10- |
| InChIKey | KYRIAWNGCNHEDA-KHPPLWFESA-N |
| Molecular Weight | 320.517 g/mol |
| SMILES | C(C(OC)=O)CCCCCCCC\C=C/CC#CCCCCC |