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1'-[(3,4-DIMETHYL-2,2'-PYRROMETHEN-5-[1H]-1-ON-1-YL)-METHYL]-3,4-DIMETHYL-2,2'-PYRROMETHEN-5-[1H]-1-ONE
SpectraBase Compound ID K3D3z1SOLBJ
InChI InChI=1S/C21H22N4O2/c1-14-15(2)21(27)23-19(14)12-18-6-4-10-25(18)13-24-9-3-5-17(24)11-16-7-8-20(26)22-16/h3-6,9-12H,7-8,13H2,1-2H3,(H,22,26)(H,23,27)/b16-11+,19-12-
InChIKey GXJWDXAPLCAZQC-DPYYQBSUSA-N
Mol Weight 362.43 g/mol
Molecular Formula C21H22N4O2
Exact Mass 362.174276 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6q8mBbH95Zy
Name 1'-[(3,4-DIMETHYL-2,2'-PYRROMETHEN-5-[1H]-1-ON-1-YL)-METHYL]-3,4-DIMETHYL-2,2'-PYRROMETHEN-5-[1H]-1-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N4O2
InChI InChI=1S/C21H22N4O2/c1-14-15(2)21(27)23-19(14)12-18-6-4-10-25(18)13-24-9-3-5-17(24)11-16-7-8-20(26)22-16/h3-6,9-12H,7-8,13H2,1-2H3,(H,22,26)(H,23,27)/b16-11+,19-12-
InChIKey GXJWDXAPLCAZQC-DPYYQBSUSA-N
Literature Reference Author K.V.D.HOEF,M.A.HEMPENIUS,J.H.KOEK,J.LUGTENBURG,R.FOKKENS
Literature Reference Citation REC.TR.CH.P.-B.,106,77(1987)
Literature Reference DOI 10.1002/recl.19871060303
Molecular Weight 362.431 g/mol
Solvent DMSO-D6
Source File Reference UWED4570