| SpectraBase Compound ID | Imk4kODYNsM |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-9(2)6-7-14-12(13)11(5)8-10(3)4/h6,8,10H,7H2,1-5H3/b11-8+ |
| InChIKey | HKTAYJPMNDAYJQ-DHZHZOJOSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gkEiKd0z5D |
|---|---|
| Name | 2-Pentenoic acid, 2,4-dimethyl-, 3-methyl-2-butenyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-9(2)6-7-14-12(13)11(5)8-10(3)4/h6,8,10H,7H2,1-5H3/b11-8+ |
| InChIKey | HKTAYJPMNDAYJQ-DHZHZOJOSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C(\C(=C\C(C)C)C)(=O)OCC=C(C)C |