Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
process
zinc;N-[(1R,2R)-2-[(1,3-dimethylimidazolidin-2-ylidene)amino]cyclohexyl]-1,3-dimethylimidazolidin-2-imine;oxolane;trifluoromethanesulfonate
Chemical Information
| InChI | InChI=1S/2C16H30N6.C4H8O.2CHF3O3S.Zn/c2*1-19-9-10-20(2)15(19)17-13-7-5-6-8-14(13)18-16-21(3)11-12-22(16)4;1-2-4-5-3-1;2*2-1(3,4)8(5,6)7;/h2*13-14H,5-12H2,1-4H3;1-4H2;2*(H,5,6,7);/q;;;;;+2/p-2/t2*13-,14-;;;;/m11..../s1 |
|---|---|
| SMILES | C1CCCO1.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.CN1CCN(C1=N[C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.CN1CCN(C1=N[C@@H]1CCCC[C@H]1N=C1N(C)CCN1C)C.[Zn+2] |
| InChI Key | RVBYFQZWFRUDCA-WAFKZFKJSA-L |
| Exact Mass | 1048.523 g/mol |
3 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol6828 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 146155941 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |