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5-[3-ethoxy-4-(2-phenoxyethoxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID HW8T2VHPJpF
InChI InChI=1S/C21H20N2O5S/c1-2-26-18-13-14(12-16-19(24)22-21(29)23-20(16)25)8-9-17(18)28-11-10-27-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11H2,1H3,(H2,22,23,24,25,29)
InChIKey KMBDOHPJVARLPJ-UHFFFAOYSA-N
Mol Weight 412.46 g/mol
Molecular Formula C21H20N2O5S
Exact Mass 412.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8fle8aRD8t6
Name 5-[3-ethoxy-4-(2-phenoxyethoxy)benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O5S
InChI InChI=1S/C21H20N2O5S/c1-2-26-18-13-14(12-16-19(24)22-21(29)23-20(16)25)8-9-17(18)28-11-10-27-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11H2,1H3,(H2,22,23,24,25,29)
InChIKey KMBDOHPJVARLPJ-UHFFFAOYSA-N
Molecular Weight 412.460 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OCC)c(cc1)OCCOc1ccccc1)=O)=S
SPLASH splash10-03di-1200900000-7892f02b90d4604c3260
Synonyms 5-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1436536