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5-(4-Acetyl-1-(3,4-dimethylphenyl)-5-methyl-2-phenyl-1H-pyrrol-3-yl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
SpectraBase Compound ID nxYaqjjLP1
InChI InChI=1S/C27H27N3O4/c1-15-12-13-20(14-16(15)2)30-17(3)21(18(4)31)22(24(30)19-10-8-7-9-11-19)23-25(32)28(5)27(34)29(6)26(23)33/h7-14,23H,1-6H3
InChIKey SXESTYQGQQQXGG-UHFFFAOYSA-N
Mol Weight 457.53 g/mol
Molecular Formula C27H27N3O4
Exact Mass 457.200156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FHODBWJW7bK
Name 5-(4-Acetyl-1-(3,4-dimethylphenyl)-5-methyl-2-phenyl-1H-pyrrol-3-yl)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27N3O4
InChI InChI=1S/C27H27N3O4/c1-15-12-13-20(14-16(15)2)30-17(3)21(18(4)31)22(24(30)19-10-8-7-9-11-19)23-25(32)28(5)27(34)29(6)26(23)33/h7-14,23H,1-6H3
InChIKey SXESTYQGQQQXGG-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2924
Molecular Weight 457.530 g/mol
SMILES C(c1c(C2C(=O)N(C)C(=O)N(C)C2=O)c(-c2ccccc2)[n](-c2ccc(c(c2)C)C)c1C)(=O)C
SPLASH splash10-066r-3000900000-1ea6a06de0e444cf8cb6
Source of Spectrum Y-54-3116-3k
Wiley ID 1878615