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Ethyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-methyl-5-oxo-1-(p-tolyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
SpectraBase Compound ID FdGtmjIYdIW
InChI InChI=1S/C21H23N3O6/c1-6-30-20(28)14-12(3)24(13-9-7-11(2)8-10-13)19(27)15(14)16-17(25)22(4)21(29)23(5)18(16)26/h7-10,15-16H,6H2,1-5H3
InChIKey YKGHKRGJWOFGRR-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 2v2KskjnTaF
Name Ethyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-methyl-5-oxo-1-(p-tolyl)-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/c1-6-30-20(28)14-12(3)24(13-9-7-11(2)8-10-13)19(27)15(14)16-17(25)22(4)21(29)23(5)18(16)26/h7-10,15-16H,6H2,1-5H3
InChIKey YKGHKRGJWOFGRR-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(c2ccc(cc2)C)C1C)C1C(N(C(N(C1=O)C)=O)C)=O)(=O)OCC
SPLASH splash10-014l-5029000000-ebc9faf24067488a3395
Source of Spectrum Y-54-3117-4b
Wiley ID 1878617