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Pigment red 146

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

Pigment red 146
SpectraBase Compound ID EZPYFqi0MeL
InChI InChI=1S/C33H27ClN4O6/c1-42-27-18-26(29(44-3)17-24(27)34)36-33(41)23-15-19-9-7-8-12-22(19)30(31(23)39)38-37-25-14-13-20(16-28(25)43-2)32(40)35-21-10-5-4-6-11-21/h4-18,39H,1-3H3,(H,35,40)(H,36,41)/b38-37+
InChIKey WGXQEQOVFUKJNK-HEFFKOSUSA-N
Mol Weight 611.1 g/mol
Molecular Formula C33H27ClN4O6
Exact Mass 610.161912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xj3QjfPcFt
Name Pigment red 146
Comments Computed using HOSE algorithm
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Exact Mass 610.161912299 u
Formula C33H27ClN4O6
InChI InChI=1S/C33H27ClN4O6/c1-42-27-18-26(29(44-3)17-24(27)34)36-33(41)23-15-19-9-7-8-12-22(19)30(31(23)39)38-37-25-14-13-20(16-28(25)43-2)32(40)35-21-10-5-4-6-11-21/h4-18,39H,1-3H3,(H,35,40)(H,36,41)/b38-37+
InChIKey WGXQEQOVFUKJNK-HEFFKOSUSA-N
Molecular Weight 611.054 g/mol
SMILES N(C1=CC=CC=C1)C(C1=CC(=C(\N=N\C2=C(C(C(=O)NC3=C(C=C(C(=C3)OC)Cl)OC)=CC3=C2C=CC=C3)O)C=C1)OC)=O