| SpectraBase Compound ID | 9fSIckYaTIs |
|---|---|
| InChI | InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h5-6H,2,4H2,1,3H3 |
| InChIKey | PVBVVELBGISLBX-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 | 3b5MHI1WMhd |
|---|---|
| Name | 4-Methyl-1-hexen-3-one |
| CAS Registry Number | 21509-95-5 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h5-6H,2,4H2,1,3H3 |
| InChIKey | PVBVVELBGISLBX-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | C(C=C)(=O)C(CC)C |
| SPLASH | splash10-0a4i-9000000000-1f6b8b261bdcf09f5747 |
| Source of Spectrum | J-57-26-4 |
| Synonyms | 4-Methylhex-1-en-3-one |
| Wiley ID | 1123530 |