| SpectraBase Compound ID | 3mUHClBwxTS |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-5-6-7-8-9-10-14-11(13)12(2,3)4/h6H,1,7-10H2,2-4H3 |
| InChIKey | SNEBOADANDYFBC-UHFFFAOYSA-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 | FJxoe2TeB6S |
|---|---|
| Name | 2,2-Dimethylpropanoic acid hepta-5,6-dienyl ester |
| 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/c1-5-6-7-8-9-10-14-11(13)12(2,3)4/h6H,1,7-10H2,2-4H3 |
| InChIKey | SNEBOADANDYFBC-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C(C(C)(C)C)(=O)OCCCCC=C=C |