| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zNrr1jSTSZ |
|---|---|
| Name | 4-Methyl-4E-hexen-3-one |
| CAS Registry Number | 62332-64-3 |
| Comments | ZSU-5055-2 |
| 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 |
| Instrument Name | Bruker WM-250 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | not reported |