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1,4-Phenylenebis((1,3-di(pyridin-2-yl)-1,2,3,4-tetrahydropyrimidin-5-yl)methane-one)
SpectraBase Compound ID AYScopzLqQd
InChI InChI=1S/C36H30N8O2/c45-35(29-21-41(31-9-1-5-17-37-31)25-42(22-29)32-10-2-6-18-38-32)27-13-15-28(16-14-27)36(46)30-23-43(33-11-3-7-19-39-33)26-44(24-30)34-12-4-8-20-40-34/h1-21,23H,22,24-26H2
InChIKey XYYBFSKZTYOAHF-UHFFFAOYSA-N
Mol Weight 606.7 g/mol
Molecular Formula C36H30N8O2
Exact Mass 606.249172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GAD2hmmyON
Name 1,4-Phenylenebis((1,3-di(pyridin-2-yl)-1,2,3,4-tetrahydropyrimidin-5-yl)methane-one)
Appearance Yellow powder
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Formula C36H30N8O2
InChI InChI=1S/C36H30N8O2/c45-35(29-21-41(31-9-1-5-17-37-31)25-42(22-29)32-10-2-6-18-38-32)27-13-15-28(16-14-27)36(46)30-23-43(33-11-3-7-19-39-33)26-44(24-30)34-12-4-8-20-40-34/h1-21,23H,22,24-26H2
InChIKey XYYBFSKZTYOAHF-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP-EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3377
Molecular Weight 606.690 g/mol
SMILES c1cc(ccc1C(=O)C=1CN(CN(C1)c1ncccc1)c1ccccn1)C(=O)C=1CN(CN(C1)c1ccccn1)c1ncccc1
SPLASH splash10-014i-6009002000-18843d807af9fb360c08
Source of Spectrum Y-55-2969-20b
Wiley ID 1878987