| SpectraBase Compound ID | 4YN13NIACaw |
|---|---|
| InChI | InChI=1S/C11H20O/c1-10(2,3)9(7-8-12)11(4,5)6/h7-8H,1-6H3 |
| InChIKey | SDVSXFSNFROEEZ-UHFFFAOYSA-N |
| Mol Weight | 168.28 g/mol |
| Molecular Formula | C11H20O |
| Exact Mass | 168.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2wxDYwFc7AE |
|---|---|
| Name | 3-Tert-butyl-4,4-dimethyl-2-pentenal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.151415263 u |
| Formula | C11H20O |
| InChI | InChI=1S/C11H20O/c1-10(2,3)9(7-8-12)11(4,5)6/h7-8H,1-6H3 |
| InChIKey | SDVSXFSNFROEEZ-UHFFFAOYSA-N |
| Molecular Weight | 168.280 g/mol |
| SMILES | C(C(C)(C)C)(C(C)(C)C)=CC=O |