| SpectraBase Compound ID | A7Q9GTVyQHx |
|---|---|
| InChI | InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,8-9,18-20,24-25H,2-4,7,10-17H2,1H3/b6-5-,9-8- |
| InChIKey | KVAITMJMCSLQEK-AFJQJTPPSA-N |
| Mol Weight | 344.5 g/mol |
| Molecular Formula | C23H36O2 |
| Exact Mass | 344.27153 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8VaFtc08MBd |
|---|---|
| Name | Mangol I |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.271530397 u |
| Formula | C23H36O2 |
| InChI | InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h5-6,8-9,18-20,24-25H,2-4,7,10-17H2,1H3/b6-5-,9-8- |
| InChIKey | KVAITMJMCSLQEK-AFJQJTPPSA-N |
| Molecular Weight | 344.539 g/mol |
| SMILES | C1(=CC(=CC(=C1)CCCCCCCC\C=C/C\C=C/CCCC)O)O |