| SpectraBase Compound ID | K7NNSTsRGqS |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-5-10(6-2)8-9(4)11(12)13-7-3/h8,10H,5-7H2,1-4H3/b9-8+ |
| InChIKey | FYWLFPWLTKMOTP-CMDGGOBGSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Avoi0SBtVvH |
|---|---|
| Name | (E)-4-Ethyl-2-methyl-2-hexenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-5-10(6-2)8-9(4)11(12)13-7-3/h8,10H,5-7H2,1-4H3/b9-8+ |
| InChIKey | FYWLFPWLTKMOTP-CMDGGOBGSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(\C(=C\C(CC)CC)C)(=O)OCC |