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5-[2-[2-(4-nitrophenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID 47D7XRSUyGG
InChI InChI=1S/C19H15N3O6S/c23-17-15(18(24)21-19(29)20-17)11-12-3-1-2-4-16(12)28-10-9-27-14-7-5-13(6-8-14)22(25)26/h1-8,11H,9-10H2,(H2,20,21,23,24,29)
InChIKey GVPSAYCJUWMKSM-UHFFFAOYSA-N
Mol Weight 413.4 g/mol
Molecular Formula C19H15N3O6S
Exact Mass 413.068156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 240a7uy3c0
Name 5-[2-[2-(4-nitrophenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15N3O6S
InChI InChI=1S/C19H15N3O6S/c23-17-15(18(24)21-19(29)20-17)11-12-3-1-2-4-16(12)28-10-9-27-14-7-5-13(6-8-14)22(25)26/h1-8,11H,9-10H2,(H2,20,21,23,24,29)
InChIKey GVPSAYCJUWMKSM-UHFFFAOYSA-N
Molecular Weight 413.404 g/mol
SMILES N1C(NC(C(C1=O)=Cc1c(OCCOc2ccc(N(=O)=O)cc2)cccc1)=O)=S
SPLASH splash10-00ej-5920000000-47e2130a6e0550eac332
Synonyms 5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Wiley ID 1437187