| SpectraBase Compound ID | CdMGtEQikzQ |
|---|---|
| InChI | InChI=1S/C9H16O/c1-5-9(10)8(4)6-7(2)3/h6-7H,5H2,1-4H3/b8-6+ |
| InChIKey | VUMJIHQXYKJTLT-SOFGYWHQSA-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 | FNQIwn8cZAx |
|---|---|
| Name | (E)-4,6-Dimethylhept-4-en-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/c1-5-9(10)8(4)6-7(2)3/h6-7H,5H2,1-4H3/b8-6+ |
| InChIKey | VUMJIHQXYKJTLT-SOFGYWHQSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | CCC(\C(=C\C(C)C)C)=O |