| SpectraBase Compound ID | DoPFO1W7qEA |
|---|---|
| InChI | InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h4-5,7H,6H2,1-3H3/b5-4+ |
| InChIKey | UURQIFMXMISCGV-SNAWJCMRSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BYe4T3Hfe22 |
|---|---|
| Name | 6-Methyl-4-hepten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h4-5,7H,6H2,1-3H3/b5-4+ |
| InChIKey | UURQIFMXMISCGV-SNAWJCMRSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | CC(C\C=C\C(C)C)=O |