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(4R,5R)-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-4,5-dihydroimidazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 7uwKsSmm9z4
InChI InChI=1S/C19H19N3O6S/c1-3-28-19(23)17-18(14-6-8-15(9-7-14)22(24)25)21(12-20-17)29(26,27)16-10-4-13(2)5-11-16/h4-12,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKey YCMXNEOBRCIOJP-QZTJIDSGSA-N
Mol Weight 417.44 g/mol
Molecular Formula C19H19N3O6S
Exact Mass 417.099457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JylpAqIoPK2
Name (4R,5R)-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-4,5-dihydroimidazole-4-carboxylic acid ethyl ester
Alternate Name(s) (4R,5R)-5-(4-nitrophenyl)-1-tosyl-2-imidazoline-4-carboxylic acid ethyl ester Ethyl (4R,5R)-1-(4-methylphenyl)sulfonyl-5-(4-nitrophenyl)-4,5-dihydroimidazole-4-carboxylate Ethyl (4R,5R)-5-(4-nitrophenyl)-1-(p-tolylsulfonyl)-4,5-dihydroimidazole-4-carboxylate
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Formula C19H19N3O6S
InChI InChI=1S/C19H19N3O6S/c1-3-28-19(23)17-18(14-6-8-15(9-7-14)22(24)25)21(12-20-17)29(26,27)16-10-4-13(2)5-11-16/h4-12,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKey YCMXNEOBRCIOJP-QZTJIDSGSA-N
Molecular Weight 417.436 g/mol
SMILES c1(S(N2[C@@]([C@](C(=O)OCC)(N=C2)[H])(c2ccc(N(=O)=O)cc2)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-06r6-9571300000-6786142c5fa476171f42
Source of Spectrum J-64-1333-6
Wiley ID 1529454