Molecule
![Molecular Image]()
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
high-resolution electrospray ionisation mass spectrometry (HRESIMS)
single crystal X-ray diffraction (single-crystal X-ray diffraction)
X-ray diffraction (XRD)
2-[bis(3-tert-butylpyrazol-1-yl)methyl]-6-[2-[6-[bis(3-tert-butylpyrazol-1-yl)methyl]pyridin-2-yl]ethyl]pyridine;chlorocopper
Chemical Information
| InChI | InChI=1S/C42H56N10.2ClH.2Cu/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;;;;/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H;;/q;;;2*+1/p-2 |
|---|---|
| SMILES | CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccc(n1)CCc1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C)(C)C.Cl[Cu].Cl[Cu] |
| InChI Key | UOUOYGYFRARQHB-UHFFFAOYSA-L |
| Exact Mass | 898.959 g/mol |
4 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol6937 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 168008342 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |