| SpectraBase Compound ID | 4BPL6apB0Kl |
|---|---|
| InChI | InChI=1S/C17H28O2/c1-4-6-7-8-9-10-11-12-13-14-15-19-17(18)16(3)5-2/h5,11-14H,4,6-10,15H2,1-3H3/b12-11+,14-13+,16-5- |
| InChIKey | YXMZRTYXVKEYIU-BIXCADSVSA-N |
| Mol Weight | 264.41 g/mol |
| Molecular Formula | C17H28O2 |
| Exact Mass | 264.20893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ab4YtQj0GyO |
|---|---|
| Name | Dodecadienyl angelate, 2E, 4E- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.208930140 u |
| Formula | C17H28O2 |
| InChI | InChI=1S/C17H28O2/c1-4-6-7-8-9-10-11-12-13-14-15-19-17(18)16(3)5-2/h5,11-14H,4,6-10,15H2,1-3H3/b12-11+,14-13+,16-5- |
| InChIKey | YXMZRTYXVKEYIU-BIXCADSVSA-N |
| Molecular Weight | 264.409 g/mol |
| SMILES | C\C=C/(C(=O)OC\C=C\C=C\CCCCCCC)C |