| SpectraBase Compound ID | C33sfeMkLX7 |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-4-6-8-9-12(3)11-13(14)15-10-7-5-2/h4,11H,1,5-10H2,2-3H3/b12-11+ |
| InChIKey | WGCKXBQNNLGALW-VAWYXSNFSA-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 | 5YRxG4Z33f6 |
|---|---|
| Name | (E)-Butyl 3-methylocta-2,7-dienoate |
| 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/c1-4-6-8-9-12(3)11-13(14)15-10-7-5-2/h4,11H,1,5-10H2,2-3H3/b12-11+ |
| InChIKey | WGCKXBQNNLGALW-VAWYXSNFSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C(OC(\C=C\(CCCC=C)C)=O)CCC |