| SpectraBase Compound ID | CaofMP2ufsz |
|---|---|
| InChI | InChI=1S/C20H24OSe/c1-20(2,17-10-5-3-6-11-17)16-18(21)12-9-15-22-19-13-7-4-8-14-19/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3 |
| InChIKey | UKMTWZHNEYRVTF-UHFFFAOYSA-N |
| Mol Weight | 359.38 g/mol |
| Molecular Formula | C20H24OSe |
| Exact Mass | 360.099237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHdR4Onyogx |
|---|---|
| Name | 6-Methyl-6-phenyl-1-(phenylseleno)heptan-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.099237392 u |
| Formula | C20H24OSe |
| InChI | InChI=1S/C20H24OSe/c1-20(2,17-10-5-3-6-11-17)16-18(21)12-9-15-22-19-13-7-4-8-14-19/h3-8,10-11,13-14H,9,12,15-16H2,1-2H3 |
| InChIKey | UKMTWZHNEYRVTF-UHFFFAOYSA-N |
| Molecular Weight | 359.383 g/mol |
| SMILES | C(C)(CC(CCC[Se]C1=CC=CC=C1)=O)(C1=CC=CC=C1)C |