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5-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 3s5ZPMZaec5
InChI InChI=1S/C23H24N2O5S/c1-4-28-20-13-16(12-18-21(26)24-23(31)25-22(18)27)6-8-19(20)30-10-9-29-17-7-5-14(2)15(3)11-17/h5-8,11-13H,4,9-10H2,1-3H3,(H2,24,25,26,27,31)
InChIKey PPTOFUIKBILNLS-UHFFFAOYSA-N
Mol Weight 440.51 g/mol
Molecular Formula C23H24N2O5S
Exact Mass 440.140593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuSIuKRmp6r
Name 5-[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxy-benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxy-phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[4-[2-(3,4-dimethylphenoxy)ethoxy]-3-ethoxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N2O5S
InChI InChI=1S/C23H24N2O5S/c1-4-28-20-13-16(12-18-21(26)24-23(31)25-22(18)27)6-8-19(20)30-10-9-29-17-7-5-14(2)15(3)11-17/h5-8,11-13H,4,9-10H2,1-3H3,(H2,24,25,26,27,31)
InChIKey PPTOFUIKBILNLS-UHFFFAOYSA-N
Molecular Weight 440.514 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OCC)c(cc1)OCCOc1cc(C)c(cc1)C)=O)=S
SPLASH splash10-0006-2400900000-5ce99a66830eb0edad48
Wiley ID 1436534