Molecule

2,1,3-benzoselenadiazole;copper(1+);[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;diperchlorate

Chemical Information

Molecular Image

InChI	InChI=1S/2C36H28OP2.C6H4N2Se.2ClHO4.2Cu/c21-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2-4-6-5(3-1)7-9-8-6;22-1(3,4)5;;/h21-28H;1-4H;2(H,2,3,4,5);;/q;;;;;2*+1/p-2
SMILES	c1ccc2c(c1)n[se]n2.c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1Oc1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Cu+].[Cu+]
InChI Key	MGDYVPDVFVURBP-UHFFFAOYSA-L
Exact Mass	1586.171 g/mol

7 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

electrospray ionisation quadrupole detection (ESI Q Trap)

Fourier transform infrared spectroscopy (FTIR)

proton-decoupled 31P nuclear magnetic resonance spectroscopy (31P{1H}-NMR)

single crystal X-ray diffraction (single-crystal X-ray diffraction)

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol6955
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
171855176	pubchem
The data in this table is sourced from UniChem at EBI.