![2-[3-(4-Methylphenyl)-3-oxopropyl]cyclohexanone](/api/spectrum/LmeLCass4bI/structure.png?h=300&w=458 "2-[3-(4-Methylphenyl)-3-oxopropyl]cyclohexanone")
| SpectraBase Compound ID | 2HRlf2skOoc |
|---|---|
| InChI | InChI=1S/C16H20O2/c1-12-6-8-14(9-7-12)16(18)11-10-13-4-2-3-5-15(13)17/h6-9,13H,2-5,10-11H2,1H3 |
| InChIKey | RLQZSFFTNHRXPJ-UHFFFAOYSA-N |
| Mol Weight | 244.33 g/mol |
| Molecular Formula | C16H20O2 |
| Exact Mass | 244.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LmeLCass4bI |
|---|---|
| Name | 2-[3-(4-Methylphenyl)-3-oxopropyl]cyclohexanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.146329882 u |
| Formula | C16H20O2 |
| InChI | InChI=1S/C16H20O2/c1-12-6-8-14(9-7-12)16(18)11-10-13-4-2-3-5-15(13)17/h6-9,13H,2-5,10-11H2,1H3 |
| InChIKey | RLQZSFFTNHRXPJ-UHFFFAOYSA-N |
| Molecular Weight | 244.334 g/mol |
| SMILES | C(C=1C=CC(=CC1)C)(CCC1C(=O)CCCC1)=O |