| 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 |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | DsKlTxZ4G5k |
|---|---|
| Name | 5-Methyl-3-hexen-2-one |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 187607 |
| CAS Registry Number | 5166-53-0 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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 |
| Observed nucleus | 1H |
| Purity | 80%, Tech. |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Wiley ID | SIAL_1HNMR_002413 |