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1,2-Bis(5-benzoyl-3-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-1-yl)-ethane
SpectraBase Compound ID 7scalzdJEYM
InChI InChI=1S/C38H38N4O2/c1-29-13-17-35(18-14-29)41-25-33(37(43)31-9-5-3-6-10-31)23-39(27-41)21-22-40-24-34(38(44)32-11-7-4-8-12-32)26-42(28-40)36-19-15-30(2)16-20-36/h3-20,23-24H,21-22,25-28H2,1-2H3
InChIKey HWEFBLFKBYYTGI-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C38H38N4O2
Exact Mass 582.299476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjUYd89dRFB
Name 1,2-Bis(5-benzoyl-3-(p-tolyl)-1,2,3,4-tetrahydropyrimidin-1-yl)-ethane
Appearance Pale-yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H38N4O2
InChI InChI=1S/C38H38N4O2/c1-29-13-17-35(18-14-29)41-25-33(37(43)31-9-5-3-6-10-31)23-39(27-41)21-22-40-24-34(38(44)32-11-7-4-8-12-32)26-42(28-40)36-19-15-30(2)16-20-36/h3-20,23-24H,21-22,25-28H2,1-2H3
InChIKey HWEFBLFKBYYTGI-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP-EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3377
Molecular Weight 582.748 g/mol
SMILES c1(ccccc1)C(=O)C=1CN(CN(C1)CCN1C=C(C(c2ccccc2)=O)CN(c2ccc(C)cc2)C1)c1ccc(cc1)C
SPLASH splash10-0a4i-2009000000-3df31ce8cbab80911968
Source of Spectrum Y-55-2968-16b
Wiley ID 1878982