| SpectraBase Compound ID | 86yhlSNtEl0 |
|---|---|
| InChI | InChI=1S/C12H22O/c1-10(2)7-6-8-12(4,5)9-11(3)13/h7H,6,8-9H2,1-5H3 |
| InChIKey | AFTMGFUCSPVUSF-UHFFFAOYSA-N |
| Mol Weight | 182.31 g/mol |
| Molecular Formula | C12H22O |
| Exact Mass | 182.167065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21LJvLccE1o |
|---|---|
| Name | 4,4,8-Trimethyl-non-7-en-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.167065327 u |
| Formula | C12H22O |
| InChI | InChI=1S/C12H22O/c1-10(2)7-6-8-12(4,5)9-11(3)13/h7H,6,8-9H2,1-5H3 |
| InChIKey | AFTMGFUCSPVUSF-UHFFFAOYSA-N |
| Molecular Weight | 182.307 g/mol |
| SMILES | CC(CCC=C(C)C)(CC(C)=O)C |