| SpectraBase Compound ID | 1AWIb9fWVCJ |
|---|---|
| InChI | InChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h8H,1,5-6H2,2-4H3 |
| InChIKey | AFRMPVFYDOTUAB-UHFFFAOYSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LnI0r5FMblB |
|---|---|
| Name | 2,6-Dimethyl-6-hepten-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-7(2)5-6-9(10)8(3)4/h8H,1,5-6H2,2-4H3 |
| InChIKey | AFRMPVFYDOTUAB-UHFFFAOYSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(=O)(CCC(=C)C)C(C)C |