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Ethyl 1-(4-chlorophenyl)-4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 1b3xLxaHBIO
InChI InChI=1S/C26H24ClN3O5/c1-5-35-25(33)19-15(2)30(18-13-11-17(27)12-14-18)22(16-9-7-6-8-10-16)20(19)21-23(31)28(3)26(34)29(4)24(21)32/h6-14,21H,5H2,1-4H3
InChIKey QHRVOUZGFRGEFU-UHFFFAOYSA-N
Mol Weight 493.95 g/mol
Molecular Formula C26H24ClN3O5
Exact Mass 493.140449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2BzPl8OqDge
Name Ethyl 1-(4-chlorophenyl)-4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24ClN3O5
InChI InChI=1S/C26H24ClN3O5/c1-5-35-25(33)19-15(2)30(18-13-11-17(27)12-14-18)22(16-9-7-6-8-10-16)20(19)21-23(31)28(3)26(34)29(4)24(21)32/h6-14,21H,5H2,1-4H3
InChIKey QHRVOUZGFRGEFU-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2924
Molecular Weight 493.947 g/mol
SMILES C(OC(c1c(C2C(=O)N(C)C(=O)N(C)C2=O)c(-c2ccccc2)[n](-c2ccc(Cl)cc2)c1C)=O)C
SPLASH splash10-0002-0131900000-2bf9744e491a795b5c1c
Source of Spectrum Y-54-3114-3c
Wiley ID 1878609