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t e r t -B u t y l 2 -[1 -(3 -b u t yl -5 -o x o -1 -p h e nyl -2 -thioxoimidazolidin-4-yl)ethyl idene]hydrazinecarboxylate
SpectraBase Compound ID KEciQV5zDp8
InChI InChI=1S/C20H28N4O3S/c1-6-7-13-23-16(14(2)21-22-18(26)27-20(3,4)5)17(25)24(19(23)28)15-11-9-8-10-12-15/h8-12,16H,6-7,13H2,1-5H3,(H,22,26)/b21-14+
InChIKey CSXNGFCEPRFNHI-KGENOOAVSA-N
Mol Weight 404.53 g/mol
Molecular Formula C20H28N4O3S
Exact Mass 404.188212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17xIrOGGES
Name t e r t -B u t y l 2 -[1 -(3 -b u t yl -5 -o x o -1 -p h e nyl -2 -thioxoimidazolidin-4-yl)ethyl idene]hydrazinecarboxylate
Alternate Name(s) Tert-Butyl 2-[1-(3-butyl -5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)ethylidene]hydrazinecarboxylate (E)-tert-butyl 2-(1-(3-butyl-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)ethylidene)hydrazinecarboxylate
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Formula C20H28N4O3S
InChI InChI=1S/C20H28N4O3S/c1-6-7-13-23-16(14(2)21-22-18(26)27-20(3,4)5)17(25)24(19(23)28)15-11-9-8-10-12-15/h8-12,16H,6-7,13H2,1-5H3,(H,22,26)/b21-14+
InChIKey CSXNGFCEPRFNHI-KGENOOAVSA-N
Molecular Weight 404.529 g/mol
SMILES N(C(OC(C)(C)C)=O)\N=C\(C1C(N(C(N1CCCC)=S)c1ccccc1)=O)C
SPLASH splash10-0401-0921000000-d0260c3f2a8ed74c8a1e
Source of Spectrum F-70-7339-4c
Wiley ID 1743093