| SpectraBase Compound ID | 61YQC50U2rs |
|---|---|
| InChI | InChI=1S/C20H21NO/c22-19-20(14-8-3-9-15-20)18(16-10-4-1-5-11-16)21(19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2 |
| InChIKey | AEIVOTLFPKAXOZ-UHFFFAOYSA-N |
| Mol Weight | 291.39 g/mol |
| Molecular Formula | C20H21NO |
| Exact Mass | 291.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Jf042pM9vC |
|---|---|
| Name | 3,3-Pentamethylene-1,4-diphenylazetidin-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.162314299 u |
| Formula | C20H21NO |
| InChI | InChI=1S/C20H21NO/c22-19-20(14-8-3-9-15-20)18(16-10-4-1-5-11-16)21(19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2 |
| InChIKey | AEIVOTLFPKAXOZ-UHFFFAOYSA-N |
| SMILES | C1(C2(C(N1C1=CC=CC=C1)=O)CCCCC2)C1=CC=CC=C1 |