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syn-tert-Butyl 3-[N-(4-Chlorophenyl)amino]-2-tert-butylthio-4,4,4-trifluorobutanoate
SpectraBase Compound ID 2JwYvLniLFK
InChI InChI=1S/C18H25ClF3NO2S/c1-16(2,3)25-15(24)13(26-17(4,5)6)14(18(20,21)22)23-12-9-7-11(19)8-10-12/h7-10,13-14,23H,1-6H3
InChIKey OJTRUQUHMBUBFX-UHFFFAOYSA-N
Mol Weight 411.91 g/mol
Molecular Formula C18H25ClF3NO2S
Exact Mass 411.124662 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vpgwN18P4V
Name syn-tert-Butyl 3-[N-(4-Chlorophenyl)amino]-2-tert-butylthio-4,4,4-trifluorobutanoate
Alternate Name(s) anti-tert-Butyl 3-[N-(4-Chlorophenyl)amino]-2-tert-butylthio-4,4,4-trifluorobutanoate tert-Butyl 2-(tert-butylsulfanyl)-3-(4-chloroanilino)-4,4,4-trifluorobutanoate
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Formula C18H25ClF3NO2S
InChI InChI=1S/C18H25ClF3NO2S/c1-16(2,3)25-15(24)13(26-17(4,5)6)14(18(20,21)22)23-12-9-7-11(19)8-10-12/h7-10,13-14,23H,1-6H3
InChIKey OJTRUQUHMBUBFX-UHFFFAOYSA-N
Molecular Weight 411.911 g/mol
SMILES N(C(C(C(=O)OC(C)(C)C)SC(C)(C)C)C(F)(F)F)c1ccc(cc1)Cl
SPLASH splash10-0a4l-9320000000-94fb98d3fea672376cc8
Source of Spectrum J-67-2694-11
Wiley ID 1569517