| SpectraBase Compound ID | XEC82MCjNe |
|---|---|
| InChI | InChI=1S/C18H24N2O2/c21-17(19-10-4-5-11-19)14-16(15-8-2-1-3-9-15)18(22)20-12-6-7-13-20/h1-3,8-9,16H,4-7,10-14H2 |
| InChIKey | QLYIYHDOJLIBQL-UHFFFAOYSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C18H24N2O2 |
| Exact Mass | 300.183778 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A8sVa126tL0 |
|---|---|
| Name | 2-Phenyl-1,4-dipyrrolidin-1-yl-butane-1,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.183778019 u |
| Formula | C18H24N2O2 |
| InChI | InChI=1S/C18H24N2O2/c21-17(19-10-4-5-11-19)14-16(15-8-2-1-3-9-15)18(22)20-12-6-7-13-20/h1-3,8-9,16H,4-7,10-14H2 |
| InChIKey | QLYIYHDOJLIBQL-UHFFFAOYSA-N |
| SMILES | C(C(CC(=O)N1CCCC1)C=1C=CC=CC1)(=O)N1CCCC1 |