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3-(4-Chlorophenyl)-5-ethoxycarbonyl-6-methyl-2-(morpholin-4-yl)furo[2,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID iiOqrmPONR
InChI InChI=1S/C20H20ClN3O5/c1-3-28-19(26)15-12(2)29-17-16(15)18(25)24(14-6-4-13(21)5-7-14)20(22-17)23-8-10-27-11-9-23/h4-7H,3,8-11H2,1-2H3
InChIKey MFLXOJRSMNKMNQ-UHFFFAOYSA-N
Mol Weight 417.85 g/mol
Molecular Formula C20H20ClN3O5
Exact Mass 417.109148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZHLxxFcigY
Name 3-(4-Chlorophenyl)-5-ethoxycarbonyl-6-methyl-2-(morpholin-4-yl)furo[2,3-d]pyrimidin-4(3H)-one
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClN3O5
InChI InChI=1S/C20H20ClN3O5/c1-3-28-19(26)15-12(2)29-17-16(15)18(25)24(14-6-4-13(21)5-7-14)20(22-17)23-8-10-27-11-9-23/h4-7H,3,8-11H2,1-2H3
InChIKey MFLXOJRSMNKMNQ-UHFFFAOYSA-N
Instrument Name Finnigan Trace
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.d18
Molecular Weight 417.849 g/mol
SMILES c1(Cl)ccc(cc1)N1C(=Nc2c(C1=O)c(c(o2)C)C(=O)OCC)N1CCOCC1
SPLASH splash10-00xu-0288900000-4be4bf539edb23251285
Source of Spectrum ARK-2008-155-6f
Wiley ID 1869110