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1,2-Bis(5-benzoyl-3-(p-anisyl)-1,2,3,4-tetrahydropyrimidin-1-yl)-ethane
SpectraBase Compound ID F5ft4hBCj2e
InChI InChI=1S/C40H42N4O4/c1-47-37-17-13-31(14-18-37)23-43-27-35(39(45)33-9-5-3-6-10-33)25-41(29-43)21-22-42-26-36(40(46)34-11-7-4-8-12-34)28-44(30-42)24-32-15-19-38(48-2)20-16-32/h3-20,25-26H,21-24,27-30H2,1-2H3
InChIKey TYHSKLNEPJGNLV-UHFFFAOYSA-N
Mol Weight 642.8 g/mol
Molecular Formula C40H42N4O4
Exact Mass 642.320606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nkkuZoyUjc
Name 1,2-Bis(5-benzoyl-3-(p-anisyl)-1,2,3,4-tetrahydropyrimidin-1-yl)-ethane
Appearance Green powder
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Formula C40H42N4O4
InChI InChI=1S/C40H42N4O4/c1-47-37-17-13-31(14-18-37)23-43-27-35(39(45)33-9-5-3-6-10-33)25-41(29-43)21-22-42-26-36(40(46)34-11-7-4-8-12-34)28-44(30-42)24-32-15-19-38(48-2)20-16-32/h3-20,25-26H,21-24,27-30H2,1-2H3
InChIKey TYHSKLNEPJGNLV-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP-EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3377
Molecular Weight 642.800 g/mol
SMILES c1(ccccc1)C(=O)C=1CN(CN(C1)CCN1C=C(C(c2ccccc2)=O)CN(Cc2ccc(OC)cc2)C1)Cc1ccc(cc1)OC
SPLASH splash10-0udi-2400900000-75f371a15b0e69aca51f
Source of Spectrum Y-55-2968-16c
Wiley ID 1878983