| SpectraBase Compound ID | 3X597F3VSjn |
|---|---|
| InChI | InChI=1S/C19H30O2/c1-8-13(2)18(20)21-16(5)15(4)12-17-14(3)10-9-11-19(17,6)7/h8,12,16H,9-11H2,1-7H3/b13-8-,15-12+ |
| InChIKey | KPRKGDYBUQYSOZ-RRKOQZBASA-N |
| Mol Weight | 290.45 g/mol |
| Molecular Formula | C19H30O2 |
| Exact Mass | 290.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | WCDtkQZonp |
|---|---|
| Name | Ionyl angelate, methyl-.beta.-(E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.224580204 u |
| Formula | C19H30O2 |
| InChI | InChI=1S/C19H30O2/c1-8-13(2)18(20)21-16(5)15(4)12-17-14(3)10-9-11-19(17,6)7/h8,12,16H,9-11H2,1-7H3/b13-8-,15-12+ |
| InChIKey | KPRKGDYBUQYSOZ-RRKOQZBASA-N |
| SMILES | C\C=C/(C(=O)OC(\C(C)=C\C=1C(CCCC1C)(C)C)C)C |