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1,4-Bis(5-benzoyl-3-benzyl-1,2,3,4-tetrahydropyrimidin-1-yl)-benzene
SpectraBase Compound ID 44IfAuABkwh
InChI InChI=1S/C42H38N4O2/c47-41(35-17-9-3-10-18-35)37-27-43(25-33-13-5-1-6-14-33)31-45(29-37)39-21-23-40(24-22-39)46-30-38(42(48)36-19-11-4-12-20-36)28-44(32-46)26-34-15-7-2-8-16-34/h1-24,29-30H,25-28,31-32H2
InChIKey BZEMJZFGSLORAN-UHFFFAOYSA-N
Mol Weight 630.8 g/mol
Molecular Formula C42H38N4O2
Exact Mass 630.299476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2b3rqjZ93LP
Name 1,4-Bis(5-benzoyl-3-benzyl-1,2,3,4-tetrahydropyrimidin-1-yl)-benzene
Appearance Deep-green powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H38N4O2
InChI InChI=1S/C42H38N4O2/c47-41(35-17-9-3-10-18-35)37-27-43(25-33-13-5-1-6-14-33)31-45(29-37)39-21-23-40(24-22-39)46-30-38(42(48)36-19-11-4-12-20-36)28-44(32-46)26-34-15-7-2-8-16-34/h1-24,29-30H,25-28,31-32H2
InChIKey BZEMJZFGSLORAN-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP-EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3377
Molecular Weight 630.792 g/mol
SMILES c1(ccccc1)C(=O)C=1CN(CN(C1)c1ccc(cc1)N1C=C(C(c2ccccc2)=O)CN(Cc2ccccc2)C1)Cc1ccccc1
SPLASH splash10-002f-9020000000-daa9ab86ac4a860e20fe
Source of Spectrum Y-55-2967-13a
Wiley ID 1878979