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Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 3WGOhTYSSpN
InChI InChI=1S/C21H23N3O6/c1-10-7-8-13(9-11(10)2)24-12(3)14(20(28)30-6)15(19(24)27)16-17(25)22(4)21(29)23(5)18(16)26/h7-9,15-16H,1-6H3
InChIKey JISFSECNXONKQI-UHFFFAOYSA-N
Mol Weight 413.43 g/mol
Molecular Formula C21H23N3O6
Exact Mass 413.158685 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42rdAxLYfTS
Name Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O6
InChI InChI=1S/C21H23N3O6/c1-10-7-8-13(9-11(10)2)24-12(3)14(20(28)30-6)15(19(24)27)16-17(25)22(4)21(29)23(5)18(16)26/h7-9,15-16H,1-6H3
InChIKey JISFSECNXONKQI-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2924
Molecular Weight 413.430 g/mol
SMILES C(C=1C(C(=O)N(c2cc(c(cc2)C)C)C1C)C1C(N(C(N(C1=O)C)=O)C)=O)(=O)OC
SPLASH splash10-001i-0219000000-582914da38d24dfd10c1
Source of Spectrum Y-54-3117-4f
Wiley ID 1878621