Molecule
![Molecular Image]()
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
elemental analysis (EA)
high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
single crystal X-ray diffraction (single-crystal X-ray diffraction)
nfdi4chem-mol3608 (Unknown Molecule)
Chemical Information
| InChI | InChI=1S/C17H19N5.3ClH.Fe/c1-21-11-12-22(2)17(21)20-16-9-4-3-8-15(16)19-13-14-7-5-6-10-18-14;;;;/h3-10,13H,11-12H2,1-2H3;3*1H;/q;;;;+3/p-3/b19-13+;;;; |
|---|---|
| SMILES | CN1CCN(C1=Nc1ccccc1/N=C/c1ccccn1)C.Cl[Fe](Cl)Cl |
| InChI Key | VELVOZIFRNAOHG-DINQAQKLSA-K |
| Exact Mass | 455.570 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol3608 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 175684003 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |