| SpectraBase Compound ID | HkqtaZzJ0sW |
|---|---|
| InChI | InChI=1S/C21H30/c1-19-15-13-11-9-7-5-4-6-8-10-12-14-16-20(2)18-21(3)17-19/h4-5,10-13H,1-3,6-9,14-18H2/b5-4-,12-10-,13-11- |
| InChIKey | NVNNQWRJWDZKOY-WHNCSWMOSA-N |
| Mol Weight | 282.47 g/mol |
| Molecular Formula | C21H30 |
| Exact Mass | 282.234751 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LrcA5WfvhJq |
|---|---|
| Name | 1,5,9-Cyclooctadecatriene, 12,14,16-tris(methylene)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.234750966 u |
| Formula | C21H30 |
| InChI | InChI=1S/C21H30/c1-19-15-13-11-9-7-5-4-6-8-10-12-14-16-20(2)18-21(3)17-19/h4-5,10-13H,1-3,6-9,14-18H2/b5-4-,12-10-,13-11- |
| InChIKey | NVNNQWRJWDZKOY-WHNCSWMOSA-N |
| Molecular Weight | 282.471 g/mol |
| SMILES | C1(CC(=C)CC\C=C/CC\C=C/CC\C=C/CC(C1)=C)=C |