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Ethyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)- 2-methyl-1-(4-methylbenzyl)-5-phenyl-1H-pyrrole-3-carboxylate
SpectraBase Compound ID 7ukP4EPor79
InChI InChI=1S/C28H29N3O5/c1-6-36-27(34)21-18(3)31(16-19-14-12-17(2)13-15-19)24(20-10-8-7-9-11-20)22(21)23-25(32)29(4)28(35)30(5)26(23)33/h7-15,23H,6,16H2,1-5H3
InChIKey GPHNGPNPVSAAPS-UHFFFAOYSA-N
Mol Weight 487.56 g/mol
Molecular Formula C28H29N3O5
Exact Mass 487.210721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPcZWc0JlKY
Name Ethyl 4-(1,3-dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)- 2-methyl-1-(4-methylbenzyl)-5-phenyl-1H-pyrrole-3-carboxylate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29N3O5
InChI InChI=1S/C28H29N3O5/c1-6-36-27(34)21-18(3)31(16-19-14-12-17(2)13-15-19)24(20-10-8-7-9-11-20)22(21)23-25(32)29(4)28(35)30(5)26(23)33/h7-15,23H,6,16H2,1-5H3
InChIKey GPHNGPNPVSAAPS-UHFFFAOYSA-N
Instrument Name HP 5937
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2924
Molecular Weight 487.556 g/mol
SMILES C(OC(c1c(C2C(=O)N(C)C(=O)N(C)C2=O)c(-c2ccccc2)[n](Cc2ccc(cc2)C)c1C)=O)C
SPLASH splash10-0a4l-4900800000-15ac8ff21d0ec9a1de86
Source of Spectrum Y-54-3115-3f
Wiley ID 1878611