| SpectraBase Compound ID | JP5gVYj25RL |
|---|---|
| InChI | InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | LJQNVNNQRWKTJP-GQCTYLIASA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F0LPq3lOMwN |
|---|---|
| Name | (E)-4-methylhex-4-en-3-one |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | LJQNVNNQRWKTJP-GQCTYLIASA-N |
| Literature Reference DOI | 10.1002/cbic.201100516 |
| Molecular Weight | 112.172 g/mol |
| SMILES | CCC(\C(=C\C)C)=O |
| SPLASH | splash10-0a4i-9000000000-d9800cedcfa6653fc865 |
| Source of Spectrum | CBC-12-2667/SM9-83 |
| Wiley ID | 1786723 |