| SpectraBase Compound ID | HhPQsbnOyS |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-7-10(6)12(13)14-11(8(2)3)9(4)5/h7-9,11H,1-6H3/b10-7+ |
| InChIKey | FTLKZZLRHWGGDE-JXMROGBWSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86uxe7rcLy4 |
|---|---|
| Name | 2,4-Dimethylpentan-3-yl (E)-2-methylbut-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-7-10(6)12(13)14-11(8(2)3)9(4)5/h7-9,11H,1-6H3/b10-7+ |
| InChIKey | FTLKZZLRHWGGDE-JXMROGBWSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C(=O)(\C(C)=C\C)OC(C(C)C)C(C)C |