| SpectraBase Compound ID | 6WVG2yQnINs |
|---|---|
| InChI | InChI=1S/C16H20O/c1-12(2)11-15-14(9-6-10-16(15)17)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3 |
| InChIKey | LBKSAOMTBWQXKH-UHFFFAOYSA-N |
| Mol Weight | 228.33 g/mol |
| Molecular Formula | C16H20O |
| Exact Mass | 228.151415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K5hBXth9ONC |
|---|---|
| Name | 2-Cyclohexen-1-one, 2-(2-methylpropyl)-3-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.151415263 u |
| Formula | C16H20O |
| InChI | InChI=1S/C16H20O/c1-12(2)11-15-14(9-6-10-16(15)17)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3 |
| InChIKey | LBKSAOMTBWQXKH-UHFFFAOYSA-N |
| Molecular Weight | 228.335 g/mol |
| SMILES | C1(=C(C=2C=CC=CC2)CCCC1=O)CC(C)C |