| SpectraBase Compound ID | JMTdRl2DPJt |
|---|---|
| InChI | InChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3 |
| InChIKey | NFJVIBUOAMVFME-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C13H14O2 |
| Exact Mass | 202.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 88f62FyoF8F |
|---|---|
| Name | 5-(4-Methylphenyl)cyclohexane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.099379689 u |
| Formula | C13H14O2 |
| InChI | InChI=1S/C13H14O2/c1-9-2-4-10(5-3-9)11-6-12(14)8-13(15)7-11/h2-5,11H,6-8H2,1H3 |
| InChIKey | NFJVIBUOAMVFME-UHFFFAOYSA-N |
| Molecular Weight | 202.253 g/mol |
| SMILES | C1(C2=CC=C(C)C=C2)CC(=O)CC(C1)=O |