| SpectraBase Compound ID | Kd8DLQXkXaa |
|---|---|
| InChI | InChI=1S/C16H26O/c1-14(2,3)11-9-16(7,8)10-12(13(11)17)15(4,5)6/h9-10H,1-8H3 |
| InChIKey | UBFMLYNCDOOCMI-UHFFFAOYSA-N |
| Mol Weight | 234.38 g/mol |
| Molecular Formula | C16H26O |
| Exact Mass | 234.198365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1ubTNjYsio |
|---|---|
| Name | 2,6-bis(1,1-Dimethylethyl)-4,4-dimethylcyclohexa-2,5-dien-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.198365456 u |
| Formula | C16H26O |
| InChI | InChI=1S/C16H26O/c1-14(2,3)11-9-16(7,8)10-12(13(11)17)15(4,5)6/h9-10H,1-8H3 |
| InChIKey | UBFMLYNCDOOCMI-UHFFFAOYSA-N |
| Molecular Weight | 234.383 g/mol |
| SMILES | C1(C(=CC(C=C1C(C)(C)C)(C)C)C(C)(C)C)=O |