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1,4-Bis(5-benzoyl-3-(p-anisyl)-1,2,3,4-tetrahydropyrimidin-1-yl)-benzene
SpectraBase Compound ID 7BM8RgDGNNe
InChI InChI=1S/C44H42N4O4/c1-51-41-21-13-33(14-22-41)25-45-27-37(43(49)35-9-5-3-6-10-35)29-47(31-45)39-17-19-40(20-18-39)48-30-38(44(50)36-11-7-4-8-12-36)28-46(32-48)26-34-15-23-42(52-2)24-16-34/h3-24,29-30H,25-28,31-32H2,1-2H3
InChIKey GQJHSLIHOCONLC-UHFFFAOYSA-N
Mol Weight 690.8 g/mol
Molecular Formula C44H42N4O4
Exact Mass 690.320606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzYL2Xyffpa
Name 1,4-Bis(5-benzoyl-3-(p-anisyl)-1,2,3,4-tetrahydropyrimidin-1-yl)-benzene
Appearance Pale-green powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H42N4O4
InChI InChI=1S/C44H42N4O4/c1-51-41-21-13-33(14-22-41)25-45-27-37(43(49)35-9-5-3-6-10-35)29-47(31-45)39-17-19-40(20-18-39)48-30-38(44(50)36-11-7-4-8-12-36)28-46(32-48)26-34-15-23-42(52-2)24-16-34/h3-24,29-30H,25-28,31-32H2,1-2H3
InChIKey GQJHSLIHOCONLC-UHFFFAOYSA-N
Instrument Name Shimadzu GC???MS QP-EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3377
Molecular Weight 690.844 g/mol
SMILES c1(ccccc1)C(=O)C=1CN(CN(C1)c1ccc(cc1)N1C=C(C(c2ccccc2)=O)CN(Cc2ccc(OC)cc2)C1)Cc1ccc(cc1)OC
SPLASH splash10-002f-3109001000-2bbf72235df11e3195fb
Source of Spectrum Y-55-2967-13c
Wiley ID 1878980