Molecule
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
copper;methyl 8-[bis(dimethylamino)methylideneamino]quinoline-4-carboxylate;trifluoromethanesulfonate
Chemical Information
| InChI | InChI=1S/2C16H20N4O2.2CHF3O3S.Cu/c2*1-19(2)16(20(3)4)18-13-8-6-7-11-12(15(21)22-5)9-10-17-14(11)13;2*2-1(3,4)8(5,6)7;/h2*6-10H,1-5H3;2*(H,5,6,7);/q;;;;+2/p-2 |
|---|---|
| SMILES | FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.COC(=O)c1ccnc2c1cccc2N=C(N(C)C)N(C)C.COC(=O)c1ccnc2c1cccc2N=C(N(C)C)N(C)C.[Cu+2] |
| InChI Key | FCSSWXJXSKXOJQ-UHFFFAOYSA-L |
| Exact Mass | 962.395 g/mol |
2 Related Dataset(s)
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Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol4993 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 172052363 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |