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Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-methyl-1-(4-methylbenzyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 8RCJLDht6uy
InChI InChI=1S/C21H23N3O6/c1-11-6-8-13(9-7-11)10-24-12(2)14(20(28)30-5)15(19(24)27)16-17(25)22(3)21(29)23(4)18(16)26/h6-9,15-16H,10H2,1-5H3
InChIKey BMZDWSQCGPBRJX-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 8noXn0RGadQ
Name Methyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-methyl-1-(4-methylbenzyl)-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/c1-11-6-8-13(9-7-11)10-24-12(2)14(20(28)30-5)15(19(24)27)16-17(25)22(3)21(29)23(4)18(16)26/h6-9,15-16H,10H2,1-5H3
InChIKey BMZDWSQCGPBRJX-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(C1C)Cc1ccc(cc1)C)C1C(N(C(N(C1=O)C)=O)C)=O)(=O)OC
SPLASH splash10-053r-0869000000-9383261c5c6ef5da24a9
Source of Spectrum Y-54-3118-4j
Wiley ID 1878624