| SpectraBase Compound ID | Bpso88SVL9I |
|---|---|
| InChI | InChI=1S/C13H24O2/c1-5-7-8-9-10-12(4)15-13(14)11(3)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+ |
| InChIKey | XGOLBNZGKRAOKD-IZZDOVSWSA-N |
| Mol Weight | 212.33 g/mol |
| Molecular Formula | C13H24O2 |
| Exact Mass | 212.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nEq2VtoVtr |
|---|---|
| Name | Octan-2-yl (E)-2-methylbut-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.177630011 u |
| Formula | C13H24O2 |
| InChI | InChI=1S/C13H24O2/c1-5-7-8-9-10-12(4)15-13(14)11(3)6-2/h6,12H,5,7-10H2,1-4H3/b11-6+ |
| InChIKey | XGOLBNZGKRAOKD-IZZDOVSWSA-N |
| Molecular Weight | 212.333 g/mol |
| SMILES | C(=O)(\C(C)=C\C)OC(CCCCCC)C |