| SpectraBase Compound ID | 7bL6Y2hjSW4 |
|---|---|
| InChI | InChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h3-5H2,1-2H3 |
| InChIKey | FRJKTQQNQDTORT-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F8J4nZprLHG |
|---|---|
| Name | 2,3-Dimethyl-1-cyclohex-2-enone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h3-5H2,1-2H3 |
| InChIKey | FRJKTQQNQDTORT-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C1(=C(CCCC1=O)C)C |