| SpectraBase Compound ID | DT4f6GIVeky |
|---|---|
| InChI | InChI=1S/C14H22O3/c1-5-8-10-14(12(4)15,11-9-6-2)13(16)17-7-3/h5-6H,1-2,7-11H2,3-4H3 |
| InChIKey | MIAADEOKZBKRQO-UHFFFAOYSA-N |
| Mol Weight | 238.33 g/mol |
| Molecular Formula | C14H22O3 |
| Exact Mass | 238.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8gA1YOZ0VV5 |
|---|---|
| Name | 2-Acetyl-2-but-3-enyl-5-hexenoic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.156894565 u |
| Formula | C14H22O3 |
| InChI | InChI=1S/C14H22O3/c1-5-8-10-14(12(4)15,11-9-6-2)13(16)17-7-3/h5-6H,1-2,7-11H2,3-4H3 |
| InChIKey | MIAADEOKZBKRQO-UHFFFAOYSA-N |
| Molecular Weight | 238.327 g/mol |
| SMILES | C(C(=O)OCC)(C(=O)C)(CCC=C)CCC=C |