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Ethyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-1-(4-methoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 8D6AopYOQjy
InChI InChI=1S/C21H23N3O7/c1-6-31-20(28)14-11(2)24(12-7-9-13(30-5)10-8-12)19(27)15(14)16-17(25)22(3)21(29)23(4)18(16)26/h7-10,15-16H,6H2,1-5H3
InChIKey KVUIIQHPWMGTBM-UHFFFAOYSA-N
Mol Weight 429.43 g/mol
Molecular Formula C21H23N3O7
Exact Mass 429.1536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlhlUrCqvuQ
Name Ethyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-1-(4-methoxyphenyl)-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 C21H23N3O7
InChI InChI=1S/C21H23N3O7/c1-6-31-20(28)14-11(2)24(12-7-9-13(30-5)10-8-12)19(27)15(14)16-17(25)22(3)21(29)23(4)18(16)26/h7-10,15-16H,6H2,1-5H3
InChIKey KVUIIQHPWMGTBM-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2924
Molecular Weight 429.429 g/mol
SMILES C(C=1C(C(=O)N(c2ccc(cc2)OC)C1C)C1C(N(C(N(C1=O)C)=O)C)=O)(=O)OCC
SPLASH splash10-001k-0928000000-982fcddf297754be0922
Source of Spectrum Y-54-3117-4c
Wiley ID 1878618