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N-[5-(4,4,4-Trifluoro-3-oxo-1-butenyl)-1,3-dimethyluracil-6-yl]-S,S-diphenylsulfilimine
SpectraBase Compound ID 5CdGDbEnup9
InChI InChI=1S/C22H18F3N3O3S/c1-27-19(17(20(30)28(2)21(27)31)13-14-18(29)22(23,24)25)26-32(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3/b14-13+
InChIKey SWZYAZLRZMKXFL-BUHFOSPRSA-N
Mol Weight 461.46 g/mol
Molecular Formula C22H18F3N3O3S
Exact Mass 461.102097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAVY28Kw3GR
Name N-[5-(4,4,4-Trifluoro-3-oxo-1-butenyl)-1,3-dimethyluracil-6-yl]-S,S-diphenylsulfilimine
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Formula C22H18F3N3O3S
InChI InChI=1S/C22H18F3N3O3S/c1-27-19(17(20(30)28(2)21(27)31)13-14-18(29)22(23,24)25)26-32(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14H,1-2H3/b14-13+
InChIKey SWZYAZLRZMKXFL-BUHFOSPRSA-N
Molecular Weight 461.459 g/mol
SMILES C=1(N(C(=O)N(C(C1\C=C\C(C(F)(F)F)=O)=O)C)C)N=S(c1ccccc1)c1ccccc1
SPLASH splash10-000i-0920000000-15bbb3cd5eb637d254b8
Source of Spectrum Y1-46-5553-3
Synonyms 6-[(diphenyl-lambda(4)-sulfanylidene)amino]-1,3-dimethyl-5-[(1E)-4,4,4-trifluoro-3-oxo-1-butenyl]-2,4(1H,3H)-pyrimidinedione
Wiley ID 1622582