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5-[3-ethoxy-4-[2-(4-sec-butylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID EIzCaH49nER
InChI InChI=1S/C25H28N2O5S/c1-4-16(3)18-7-9-19(10-8-18)31-12-13-32-21-11-6-17(15-22(21)30-5-2)14-20-23(28)26-25(33)27-24(20)29/h6-11,14-16H,4-5,12-13H2,1-3H3,(H2,26,27,28,29,33)
InChIKey BAQNJWPLSBOWTA-UHFFFAOYSA-N
Mol Weight 468.57 g/mol
Molecular Formula C25H28N2O5S
Exact Mass 468.171893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BFzQbBbGK
Name 5-[3-ethoxy-4-[2-(4-sec-butylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O5S
InChI InChI=1S/C25H28N2O5S/c1-4-16(3)18-7-9-19(10-8-18)31-12-13-32-21-11-6-17(15-22(21)30-5-2)14-20-23(28)26-25(33)27-24(20)29/h6-11,14-16H,4-5,12-13H2,1-3H3,(H2,26,27,28,29,33)
InChIKey BAQNJWPLSBOWTA-UHFFFAOYSA-N
Molecular Weight 468.568 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OCC)c(cc1)OCCOc1ccc(cc1)C(CC)C)=O)=S
SPLASH splash10-006x-8910000000-4b30b49f08ef30556bd3
Synonyms 5-[[3-ethoxy-4-[2-(4-sec-butylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[4-[2-(4-butan-2-ylphenoxy)ethoxy]-3-ethoxy-phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1448236