| SpectraBase Compound ID | 5zCAS2jUgxF |
|---|---|
| InChI | InChI=1S/C9H14O/c1-4-9(10)7-5-6-8(2)3/h4,6H,1,5,7H2,2-3H3 |
| InChIKey | FVAZRTUEFHNRTR-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jlb0NOuj3PG |
|---|---|
| Name | 7-Methylocta-1,6-dien-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-4-9(10)7-5-6-8(2)3/h4,6H,1,5,7H2,2-3H3 |
| InChIKey | FVAZRTUEFHNRTR-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C=CC(CCC=C(C)C)=O |