![4-[1-(Cyclohexylamino)ethylidene]-1-phenyl-3,5-pyrazolidinedione](/api/spectrum/8kAWhyzBPSp/structure.png?h=300&w=458 "4-[1-(Cyclohexylamino)ethylidene]-1-phenyl-3,5-pyrazolidinedione")
| SpectraBase Compound ID | 53KUNj66oHI |
|---|---|
| InChI | InChI=1S/C17H21N3O2/c1-12(18-13-8-4-2-5-9-13)15-16(21)19-20(17(15)22)14-10-6-3-7-11-14/h3,6-7,10-11,13,18H,2,4-5,8-9H2,1H3,(H,19,21) |
| InChIKey | ZMMPIYSGIUHGBC-UHFFFAOYSA-N |
| Mol Weight | 299.37 g/mol |
| Molecular Formula | C17H21N3O2 |
| Exact Mass | 299.163377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8kAWhyzBPSp |
|---|---|
| Name | 4-[1-(Cyclohexylamino)ethylidene]-1-phenyl-3,5-pyrazolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.163376926 u |
| Formula | C17H21N3O2 |
| InChI | InChI=1S/C17H21N3O2/c1-12(18-13-8-4-2-5-9-13)15-16(21)19-20(17(15)22)14-10-6-3-7-11-14/h3,6-7,10-11,13,18H,2,4-5,8-9H2,1H3,(H,19,21) |
| InChIKey | ZMMPIYSGIUHGBC-UHFFFAOYSA-N |
| Molecular Weight | 299.374 g/mol |
| SMILES | N1C(C(=C(NC2CCCCC2)C)C(N1C=1C=CC=CC1)=O)=O |