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5-[3-[2-(4-tert-butylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
SpectraBase Compound ID JAuUaMLFSeT
InChI InChI=1S/C23H24N2O4S/c1-23(2,3)16-7-9-17(10-8-16)28-11-12-29-18-6-4-5-15(13-18)14-19-20(26)24-22(30)25-21(19)27/h4-10,13-14H,11-12H2,1-3H3,(H2,24,25,26,27,30)
InChIKey UYJGVLAOMHVDAI-UHFFFAOYSA-N
Mol Weight 424.52 g/mol
Molecular Formula C23H24N2O4S
Exact Mass 424.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WXwquobXfL
Name 5-[3-[2-(4-tert-butylphenoxy)ethoxy]benzylidene]-2-thioxo-hexahydropyrimidine-4,6-quinone
Alternate Name(s) 5-[[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione 5-[[3-[2-(4-tert-butylphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N2O4S
InChI InChI=1S/C23H24N2O4S/c1-23(2,3)16-7-9-17(10-8-16)28-11-12-29-18-6-4-5-15(13-18)14-19-20(26)24-22(30)25-21(19)27/h4-10,13-14H,11-12H2,1-3H3,(H2,24,25,26,27,30)
InChIKey UYJGVLAOMHVDAI-UHFFFAOYSA-N
Molecular Weight 424.515 g/mol
SMILES N1C(NC(C(C1=O)=Cc1cc(OCCOc2ccc(C(C)(C)C)cc2)ccc1)=O)=S
SPLASH splash10-0ab9-1500900000-fa20b5c37fa67532f209
Wiley ID 1436562