| SpectraBase Compound ID | EJJf6qc1BHK |
|---|---|
| InChI | InChI=1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | YJWJGLQYQJGEEP-UHFFFAOYSA-N |
| Mol Weight | 100.16 g/mol |
| Molecular Formula | C6H12O |
| Exact Mass | 100.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85WJYaJMB8y |
|---|---|
| Name | 3-METHYLVALERALDEHYDE |
| Source of Sample | G. E. Hawkes, K. Herwig, J. D. Roberts J. Org. Chem. 39, 1017(1974) |
| CAS Registry Number | 15877-57-3 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H12O |
| InChI | InChI=1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3 |
| InChIKey | YJWJGLQYQJGEEP-UHFFFAOYSA-N |
| Molecular Weight | 100.16 |
| Solvent | Chloroform-d; Reference=TMS; Temperature=308 K Spectrometer= Special |