| SpectraBase Compound ID | DhmuEpl21ZQ |
|---|---|
| InChI | InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+ |
| InChIKey | IYMKNYVCXUEFJE-SNAWJCMRSA-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 | 2L2U3jH5gHA |
|---|---|
| Name | trans-5-METHYL-3-HEXEN-2-ONE |
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| CAS Registry Number | 5166-53-0 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+ |
| InChIKey | IYMKNYVCXUEFJE-SNAWJCMRSA-N |
| Molecular Weight | 112.17 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300 |
| Synonyms | 3-HEXEN-2-ONE, 5-METHYL-, trans-, |