John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9Vmcc9m7RLs SpectraBase Spectrum ID=2vnj4JkoqFs

(accessed ).
(Z)-5H-PYRIDINIUM-2,4,6-TRIS-(DIMETHYLAMINO)-5-[(Z)-1-(2,4,6-TRIS-(DIMETHYLAMINO)-PYRIMIDIN-5-YL)-2-CHLOROVINYL]-CHLORIDE
SpectraBase Compound ID 9Vmcc9m7RLs
InChI InChI=1S/C22H39ClN10.ClH/c1-28(2)17-15(18(29(3)4)25-21(24-17)32(9)10)14(13-23)16-19(30(5)6)26-22(33(11)12)27-20(16)31(7)8;/h13,15,21H,1-12H3;1H/p-1/b14-13-;
InChIKey RJHLRBWAPTUGEJ-HPWRNOGASA-M
Mol Weight 514.5 g/mol
Molecular Formula C22H39Cl2N10
Exact Mass 513.273622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vnj4JkoqFs
Name (Z)-5H-PYRIDINIUM-2,4,6-TRIS-(DIMETHYLAMINO)-5-[(Z)-1-(2,4,6-TRIS-(DIMETHYLAMINO)-PYRIMIDIN-5-YL)-2-CHLOROVINYL]-CHLORIDE
Compound Number 4
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Formula C22H39Cl2N10
InChI InChI=1S/C22H39ClN10.ClH/c1-28(2)17-15(18(29(3)4)25-21(24-17)32(9)10)14(13-23)16-19(30(5)6)26-22(33(11)12)27-20(16)31(7)8;/h13,15,21H,1-12H3;1H/p-1/b14-13-;
InChIKey RJHLRBWAPTUGEJ-HPWRNOGASA-M
Literature Reference Author A.DEMETER,C.WEBER,J.BRLIK
Literature Reference Citation J.AM.CHEM.SOC.,125,2535(2003)
Literature Reference DOI 10.1021/ja027900v
Molecular Weight 514.525 g/mol
Sample ID 40629
Solvent DMSO-D6
SpectraBase Batch ID 1ZjQWN900r4