| SpectraBase Compound ID | ExiRlrSmLEf |
|---|---|
| InChI | InChI=1S/C14H16O/c1-11-6-5-9-14(15)13(11)10-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3 |
| InChIKey | XCZNNIXSFLASLS-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C14H16O |
| Exact Mass | 200.120115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FVRlPKSChB6 |
|---|---|
| Name | 2-Benzyl-3-methyl-2-cyclohexenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.120115134 u |
| Formula | C14H16O |
| InChI | InChI=1S/C14H16O/c1-11-6-5-9-14(15)13(11)10-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3 |
| InChIKey | XCZNNIXSFLASLS-UHFFFAOYSA-N |
| Molecular Weight | 200.281 g/mol |
| SMILES | C1(C(=C(CCC1)C)CC=1C=CC=CC1)=O |