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5-[5-bromo-2-[2-(4-tert-butyl-phenoxy)-ethoxy]-benzylidene]-2-thioxo-dihydro-pyrimidine-4,6-dione
SpectraBase Compound ID 1zrZ3AfVHkw
InChI InChI=1S/C23H23BrN2O4S/c1-23(2,3)15-4-7-17(8-5-15)29-10-11-30-19-9-6-16(24)12-14(19)13-18-20(27)25-22(31)26-21(18)28/h4-9,12-13H,10-11H2,1-3H3,(H2,25,26,27,28,31)
InChIKey LKYHHCXLFKGKLI-UHFFFAOYSA-N
Mol Weight 503.41 g/mol
Molecular Formula C23H23BrN2O4S
Exact Mass 502.056191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0lrI1H9JOy
Name 5-[5-bromo-2-[2-(4-tert-butyl-phenoxy)-ethoxy]-benzylidene]-2-thioxo-dihydro-pyrimidine-4,6-dione
Alternate Name(s) 5-{5-bromo-2-[2-(4-tert-butylphenoxy)ethoxy]benzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23BrN2O4S
InChI InChI=1S/C23H23BrN2O4S/c1-23(2,3)15-4-7-17(8-5-15)29-10-11-30-19-9-6-16(24)12-14(19)13-18-20(27)25-22(31)26-21(18)28/h4-9,12-13H,10-11H2,1-3H3,(H2,25,26,27,28,31)
InChIKey LKYHHCXLFKGKLI-UHFFFAOYSA-N
Molecular Weight 503.411 g/mol
SMILES N1C(NC(C(C1=O)=Cc1c(ccc(c1)Br)OCCOc1ccc(C(C)(C)C)cc1)=O)=S
SPLASH splash10-052u-6900330000-4c1b095d804ba34cf6e3
Wiley ID 1437175