| SpectraBase Compound ID | 9fgUuE5kVjN |
|---|---|
| InChI | InChI=1S/C12H13NO2/c14-11(10-5-2-1-3-6-10)9-12(15)13-7-4-8-13/h1-3,5-6H,4,7-9H2 |
| InChIKey | QQYFTOBTMIPZHD-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43wgZ83Jwgj |
|---|---|
| Name | 1-Azetidin-1-yl-3-phenyl-propane-1,3-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c14-11(10-5-2-1-3-6-10)9-12(15)13-7-4-8-13/h1-3,5-6H,4,7-9H2 |
| InChIKey | QQYFTOBTMIPZHD-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)N1CCC1 |