| SpectraBase Compound ID | LrlImsi4Ixu |
|---|---|
| InChI | InChI=1S/C8H14O/c1-6(2)5-8(9)7(3)4/h5,7H,1-4H3 |
| InChIKey | DUUWYUKZDYZHDP-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ZABtIWfCBW |
|---|---|
| Name | 2,5-Dimethyl-4-hexen-3-one |
| CAS Registry Number | 13905-13-0 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-6(2)5-8(9)7(3)4/h5,7H,1-4H3 |
| InChIKey | DUUWYUKZDYZHDP-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | W. Adam, A. Berkessel, S. Krimm, J. Am. Chem. Soc. 108, 4556 (1986). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |