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2,7-Bis-(6-methyl-4-phenyl-1,4-dihydro-pyrimidin-2-ylamino)-benzo[lmn][3,8]phena-nthroline-1,3,6,8-tetraone
SpectraBase Compound ID 7WW0RBIPgqT
InChI InChI=1S/C36H28N8O4/c1-19-17-27(21-9-5-3-6-10-21)39-35(37-19)41-43-31(45)23-13-15-25-30-26(16-14-24(29(23)30)32(43)46)34(48)44(33(25)47)42-36-38-20(2)18-28(40-36)22-11-7-4-8-12-22/h3-18,27-28H,1-2H3,(H2,37,39,41)(H2,38,40,42)
InChIKey KSHNDKKSARILIM-UHFFFAOYSA-N
Mol Weight 636.7 g/mol
Molecular Formula C36H28N8O4
Exact Mass 636.223351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JT7TmDCfLlB
Name 2,7-Bis-(6-methyl-4-phenyl-1,4-dihydro-pyrimidin-2-ylamino)-benzo[lmn][3,8]phena-nthroline-1,3,6,8-tetraone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H28N8O4
InChI InChI=1S/C36H28N8O4/c1-19-17-27(21-9-5-3-6-10-21)39-35(37-19)41-43-31(45)23-13-15-25-30-26(16-14-24(29(23)30)32(43)46)34(48)44(33(25)47)42-36-38-20(2)18-28(40-36)22-11-7-4-8-12-22/h3-18,27-28H,1-2H3,(H2,37,39,41)(H2,38,40,42)
InChIKey KSHNDKKSARILIM-UHFFFAOYSA-N
Molecular Weight 636.672 g/mol
SMILES N(C1=NC(c2ccccc2)C=C(N1)C)N1C(c2ccc3C(N(C(c4c3c2c(C1=O)cc4)=O)NC1=NC(c2ccccc2)C=C(N1)C)=O)=O
SPLASH splash10-0f6x-9661112000-6aa299754c28f8ed73f2
Source of Spectrum F2-44-4791-17
Wiley ID 1705875