| SpectraBase Compound ID | FgwqZxjUa5P |
|---|---|
| InChI | InChI=1S/C15H19NO2/c1-12(15(18)16-9-5-6-10-16)11-14(17)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3 |
| InChIKey | XKZBMUVEYKKLER-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C15H19NO2 |
| Exact Mass | 245.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4cZpTEm8NW5 |
|---|---|
| Name | 2-Methyl-4-phenyl-1-pyrrolidin-1-yl-butanne-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.141578854 u |
| Formula | C15H19NO2 |
| InChI | InChI=1S/C15H19NO2/c1-12(15(18)16-9-5-6-10-16)11-14(17)13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3 |
| InChIKey | XKZBMUVEYKKLER-UHFFFAOYSA-N |
| Molecular Weight | 245.322 g/mol |
| SMILES | C1N(CCC1)C(C(CC(C1=CC=CC=C1)=O)C)=O |