| SpectraBase Compound ID | JajNlAKPZhr |
|---|---|
| InChI | InChI=1S/C7H12O/c1-4-6(2)5-7(3)8/h4,6H,1,5H2,2-3H3 |
| InChIKey | MXGGBUKCVFGCAG-UHFFFAOYSA-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 | 5pRP2F8oqFo |
|---|---|
| Name | 4-Methyl-5-hexen-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-4-6(2)5-7(3)8/h4,6H,1,5H2,2-3H3 |
| InChIKey | MXGGBUKCVFGCAG-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C=CC(CC(C)=O)C |
| SPLASH | splash10-0006-9000000000-2dbb232c32d88b4c6ff6 |
| Source of Spectrum | O1-30-549-12 |
| Synonyms | 4-Methylhex-5-en-2-one |
| Wiley ID | 818625 |