| SpectraBase Compound ID | 186BrzV2LYg |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h10H,2-8H2,1H3 |
| InChIKey | XSGVDXNSWXPHOV-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Uq2NIg5xEa |
|---|---|
| Name | 1-Cyclohexylpentane-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-9(12)7-8-11(13)10-5-3-2-4-6-10/h10H,2-8H2,1H3 |
| InChIKey | XSGVDXNSWXPHOV-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(CCC(C)=O)(=O)C1CCCCC1 |