| SpectraBase Compound ID | 4tTBVPpZBnE |
|---|---|
| InChI | InChI=1S/C17H24O/c1-14-8-7-13-16(17(14)18)12-6-5-11-15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3 |
| InChIKey | XBIBRSCTFQHKHR-UHFFFAOYSA-N |
| Mol Weight | 244.38 g/mol |
| Molecular Formula | C17H24O |
| Exact Mass | 244.182715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HqZdvn7Kd0Z |
|---|---|
| Name | Cyclohexanone, 2-methyl-6-(4-phenylbutyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.182715392 u |
| Formula | C17H24O |
| InChI | InChI=1S/C17H24O/c1-14-8-7-13-16(17(14)18)12-6-5-11-15-9-3-2-4-10-15/h2-4,9-10,14,16H,5-8,11-13H2,1H3 |
| InChIKey | XBIBRSCTFQHKHR-UHFFFAOYSA-N |
| Molecular Weight | 244.378 g/mol |
| SMILES | C1(CCCC(C1=O)C)CCCCC1=CC=CC=C1 |