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5-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 6Sw74NBZQh
InChI InChI=1S/C22H22N2O6S/c1-3-28-19-13-14(12-15-20(25)23-22(31)24-21(15)26)8-9-18(19)30-11-10-29-17-7-5-4-6-16(17)27-2/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,24,25,26,31)
InChIKey SQYNBUAAXKBGAV-UHFFFAOYSA-N
Mol Weight 442.49 g/mol
Molecular Formula C22H22N2O6S
Exact Mass 442.119858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NxyqBG1g5h
Name 5-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O6S
InChI InChI=1S/C22H22N2O6S/c1-3-28-19-13-14(12-15-20(25)23-22(31)24-21(15)26)8-9-18(19)30-11-10-29-17-7-5-4-6-16(17)27-2/h4-9,12-13H,3,10-11H2,1-2H3,(H2,23,24,25,26,31)
InChIKey SQYNBUAAXKBGAV-UHFFFAOYSA-N
Molecular Weight 442.486 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OCC)c(cc1)OCCOc1c(OC)cccc1)=O)=S
SPLASH splash10-0f6x-9700000000-61c8446cdfd96216b52e
Wiley ID 1448235