| SpectraBase Compound ID | BvsRLVXu4b8 |
|---|---|
| InChI | InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h5H,4H2,1-3H3 |
| InChIKey | WNZISGSGRPIJFX-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 | GAws0zaQLk4 |
|---|---|
| Name | 4-Hexen-3-one, 5-methyl- |
| CAS Registry Number | 13905-10-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-4-7(8)5-6(2)3/h5H,4H2,1-3H3 |
| InChIKey | WNZISGSGRPIJFX-UHFFFAOYSA-N |
| Molecular Weight | 112.172 g/mol |
| SMILES | CC(=CC(=O)CC)C |
| SPLASH | splash10-057i-9000000000-f1351570e4425e8efbbf |
| Source of Spectrum | AD-0-4732-0 |
| Synonyms | 5-Methyl-4-hexen-3-one 5-Methylhex-4-en-3-one |
| Wiley ID | 1123326 |