| SpectraBase Compound ID | BGWG2drLhAH |
|---|---|
| InChI | InChI=1S/C19H18OSe/c1-19(15-8-4-2-5-9-15)13-12-17(20)18(14-19)21-16-10-6-3-7-11-16/h2-13,18H,14H2,1H3 |
| InChIKey | QHXHUVQMNIZSIU-UHFFFAOYSA-N |
| Mol Weight | 341.32 g/mol |
| Molecular Formula | C19H18OSe |
| Exact Mass | 342.052287 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3lkVQ9Dupot |
|---|---|
| Name | 4-Methyl-4-phenyl-6-phenylseleno-2-cyclohexen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.052287199 u |
| Formula | C19H18OSe |
| InChI | InChI=1S/C19H18OSe/c1-19(15-8-4-2-5-9-15)13-12-17(20)18(14-19)21-16-10-6-3-7-11-16/h2-13,18H,14H2,1H3 |
| InChIKey | QHXHUVQMNIZSIU-UHFFFAOYSA-N |
| Molecular Weight | 341.324 g/mol |
| SMILES | C=1C(CC(C(C1)=O)[Se]C1=CC=CC=C1)(C)C1=CC=CC=C1 |