| SpectraBase Compound ID | JOBDELGQoNV |
|---|---|
| InChI | InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3 |
| InChIKey | UJBOOUHRTQVGRU-UHFFFAOYSA-N |
| Mol Weight | 112.17 g/mol |
| Molecular Formula | C7H12O |
| Exact Mass | 112.088815 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3WRyvcY7aWm |
|---|---|
| Name | 3-Methylcyclohexanone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O |
| InChI | InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3 |
| InChIKey | UJBOOUHRTQVGRU-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 112.172 g/mol |
| SMILES | CC1CCCC(C1)=O |
| SPLASH | splash10-066u-9000000000-c162117476fdd2fbf3e5 |
| Source of Spectrum | SRH-2022-6952-0 |
| Wiley ID | 1828753 |