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Tert-Butyl 2-[1-[3-Butyl-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]ethylilene]hydrazinecarboxylate
SpectraBase Compound ID 7KaksMRl2Om
InChI InChI=1S/C20H27ClN4O3S/c1-6-7-12-24-16(13(2)22-23-18(27)28-20(3,4)5)17(26)25(19(24)29)15-10-8-14(21)9-11-15/h8-11,16H,6-7,12H2,1-5H3,(H,23,27)/b22-13+
InChIKey CTRGAJACXOFPKC-LPYMAVHISA-N
Mol Weight 438.97 g/mol
Molecular Formula C20H27ClN4O3S
Exact Mass 438.14924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Nou9GMvzc
Name Tert-Butyl 2-[1-[3-Butyl-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]ethylilene]hydrazinecarboxylate
Alternate Name(s) (E)-tert-butyl 2-(1-(3-butyl-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl)ethylidene)hydrazinecarboxylate N-[(E)-1-[3-butyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylidene-4-imidazolidinyl]ethylideneamino]carbamic acid tert-butyl ester tert-Butyl N-[(E)-1-[3-butyl-1-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]ethylideneamino]carbamate tert-Butyl N-[(E)-1-[3-butyl-1-(4-chlorophenyl)-5-oxo-2-thioxo-imidazolidin-4-yl]ethylideneamino]carbamate tert-Butyl N-[(E)-1-[3-butyl-1-(4-chlorophenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethylideneamino]carbamate
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Formula C20H27ClN4O3S
InChI InChI=1S/C20H27ClN4O3S/c1-6-7-12-24-16(13(2)22-23-18(27)28-20(3,4)5)17(26)25(19(24)29)15-10-8-14(21)9-11-15/h8-11,16H,6-7,12H2,1-5H3,(H,23,27)/b22-13+
InChIKey CTRGAJACXOFPKC-LPYMAVHISA-N
Literature Reference DOI 10.1021/jo2021949
Molecular Weight 438.974 g/mol
SMILES N(\N=C\(C1N(C(N(c2ccc(cc2)Cl)C1=O)=S)CCCC)C)C(OC(C)(C)C)=O
SPLASH splash10-02h9-0529000000-ee91a97b16c3f099e9e2
Source of Spectrum J-77-1165-4f
Wiley ID 1744956