| SpectraBase Compound ID | CVWUpdob3VY |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-6-8-9-12(10(3)4)15-13(14)11(5)7-2/h6-8,10,12H,9H2,1-5H3/b8-6+,11-7- |
| InChIKey | KQBALKKFVWVZOZ-VJUDZZRDSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DI5iLjYVr7n |
|---|---|
| Name | Hepten-2-yl angelate, 6-methyl-5- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-6-8-9-12(10(3)4)15-13(14)11(5)7-2/h6-8,10,12H,9H2,1-5H3/b8-6+,11-7- |
| InChIKey | KQBALKKFVWVZOZ-VJUDZZRDSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C\C=C/(C(=O)OC(C\C=C\C)C(C)C)C |