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(4R,5R)-1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 94VELdcDeOV
InChI InChI=1S/C20H19F3N2O4S/c1-3-29-19(26)17-18(14-6-8-15(9-7-14)20(21,22)23)25(12-24-17)30(27,28)16-10-4-13(2)5-11-16/h4-12,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKey ABRJSFMRFOYAGT-QZTJIDSGSA-N
Mol Weight 440.44 g/mol
Molecular Formula C20H19F3N2O4S
Exact Mass 440.101763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LnQQioy99aP
Name (4R,5R)-1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-4-carboxylic acid ethyl ester
Alternate Name(s) (4R,5R)-1-tosyl-5-[4-(trifluoromethyl)phenyl]-2-imidazoline-4-carboxylic acid ethyl ester Ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-4-carboxylate Ethyl (4R,5R)-1-(p-tolylsulfonyl)-5-[4-(trifluoromethyl)phenyl]-4,5-dihydroimidazole-4-carboxylate
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Formula C20H19F3N2O4S
InChI InChI=1S/C20H19F3N2O4S/c1-3-29-19(26)17-18(14-6-8-15(9-7-14)20(21,22)23)25(12-24-17)30(27,28)16-10-4-13(2)5-11-16/h4-12,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKey ABRJSFMRFOYAGT-QZTJIDSGSA-N
Molecular Weight 440.437 g/mol
SMILES c1(S(N2[C@@]([C@](C(=O)OCC)(N=C2)[H])(c2ccc(C(F)(F)F)cc2)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-000f-8491400000-87bab2b6ebeaeea357fd
Source of Spectrum J-64-1333-6
Wiley ID 1529453