| 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 | I1pfZudcObL |
|---|---|
| Name | 4-HEXEN-3-ONE, 4-METHYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 |
| Molecular Weight | 112.0885 |
| SMILES | C\C=C\(C(CC)=O)C |
| SPLASH | splash10-0a59-9000000000-e5db19f8917d04faebce |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |