| SpectraBase Compound ID | 5CJgduZtJ51 |
|---|---|
| InChI | InChI=1S/C16H19FN2O2/c17-11-6-8-13(9-7-11)19-15(20)10-14(16(19)21)18-12-4-2-1-3-5-12/h6-9,12,14,18H,1-5,10H2 |
| InChIKey | LAXQHUXNQMKDGG-UHFFFAOYSA-N |
| Mol Weight | 290.34 g/mol |
| Molecular Formula | C16H19FN2O2 |
| Exact Mass | 290.143056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 646Q3pRtuxb |
|---|---|
| Name | 3-(Cyclohexylamino)-1-(4-fluorophenyl)-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.143056021 u |
| Formula | C16H19FN2O2 |
| InChI | InChI=1S/C16H19FN2O2/c17-11-6-8-13(9-7-11)19-15(20)10-14(16(19)21)18-12-4-2-1-3-5-12/h6-9,12,14,18H,1-5,10H2 |
| InChIKey | LAXQHUXNQMKDGG-UHFFFAOYSA-N |
| Molecular Weight | 290.338 g/mol |
| SMILES | N(C1C(N(C(C1)=O)C=1C=CC(=CC1)F)=O)C1CCCCC1 |