| SpectraBase Compound ID | 4LyNOnpfWMJ |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-11(2)10-16-14(15)9-7-6-8-13(5)12(3)4/h6-7,11H,8-10H2,1-5H3/b7-6+ |
| InChIKey | KSUJQQCUSDGXEL-VOTSOKGWSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BSRAGOh7S9s |
|---|---|
| Name | (E)-Isobutyl 6,7-dimethylocta-3,6-dienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-11(2)10-16-14(15)9-7-6-8-13(5)12(3)4/h6-7,11H,8-10H2,1-5H3/b7-6+ |
| InChIKey | KSUJQQCUSDGXEL-VOTSOKGWSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C(OC(C\C=C\CC(C)=C(C)C)=O)C(C)C |