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Pigment red 188

View entire compound with spectra: 1 NMR, and 5 FTIR

Pigment red 188
SpectraBase Compound ID 2E1yuQMhTil
InChI InChI=1S/C33H24Cl2N4O6/c1-44-28-10-6-5-9-25(28)36-32(42)23-15-18-7-3-4-8-21(18)29(30(23)40)39-38-26-16-19(11-13-22(26)33(43)45-2)31(41)37-27-17-20(34)12-14-24(27)35/h3-17,40H,1-2H3,(H,36,42)(H,37,41)/b39-38+
InChIKey MERWBGHMSXDWBM-YMZYAJTMSA-N
Mol Weight 643.5 g/mol
Molecular Formula C33H24Cl2N4O6
Exact Mass 642.10729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fe6NBD7Lw7l
Name Pigment red 188
Comments Computed using HOSE algorithm
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Exact Mass 642.107289903 u
Formula C33H24Cl2N4O6
InChI InChI=1S/C33H24Cl2N4O6/c1-44-28-10-6-5-9-25(28)36-32(42)23-15-18-7-3-4-8-21(18)29(30(23)40)39-38-26-16-19(11-13-22(26)33(43)45-2)31(41)37-27-17-20(34)12-14-24(27)35/h3-17,40H,1-2H3,(H,36,42)(H,37,41)/b39-38+
InChIKey MERWBGHMSXDWBM-YMZYAJTMSA-N
Molecular Weight 643.483 g/mol
SMILES N(C1=C(C=CC(=C1)Cl)Cl)C(C=1C=CC(=C(\N=N\C2=C(C(C(=O)NC3=C(C=CC=C3)OC)=CC3=C2C=CC=C3)O)C1)C(=O)OC)=O