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1,4-Bis(5-benzoyl-3-phenyl-1,2,3,4-tetrahydropyrimidin-1-yl)-benzene
SpectraBase Compound ID Hj3efByspZp
InChI InChI=1S/C40H34N4O2/c45-39(31-13-5-1-6-14-31)33-25-41(35-17-9-3-10-18-35)29-43(27-33)37-21-23-38(24-22-37)44-28-34(40(46)32-15-7-2-8-16-32)26-42(30-44)36-19-11-4-12-20-36/h1-24,27-28H,25-26,29-30H2
InChIKey XQCQSQXRMWKESI-UHFFFAOYSA-N
Mol Weight 602.7 g/mol
Molecular Formula C40H34N4O2
Exact Mass 602.268176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E1ZilQTlzRW
Name 1,4-Bis(5-benzoyl-3-phenyl-1,2,3,4-tetrahydropyrimidin-1-yl)-benzene
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H34N4O2
InChI InChI=1S/C40H34N4O2/c45-39(31-13-5-1-6-14-31)33-25-41(35-17-9-3-10-18-35)29-43(27-33)37-21-23-38(24-22-37)44-28-34(40(46)32-15-7-2-8-16-32)26-42(30-44)36-19-11-4-12-20-36/h1-24,27-28H,25-26,29-30H2
InChIKey XQCQSQXRMWKESI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP-EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3377
Molecular Weight 602.738 g/mol
SMILES c1(ccccc1)C(=O)C=1CN(CN(C1)c1ccc(cc1)N1C=C(C(c2ccccc2)=O)CN(c2ccccc2)C1)c1ccccc1
SPLASH splash10-0006-1319000000-bde6cb75f3f93493e98a
Source of Spectrum Y-55-2967-13f
Wiley ID 1878981