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(4R,5R)-5-(4-iodophenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID FD1BPe6FagK
InChI InChI=1S/C19H19IN2O4S/c1-3-26-19(23)17-18(14-6-8-15(20)9-7-14)22(12-21-17)27(24,25)16-10-4-13(2)5-11-16/h4-12,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKey KOSZCKWYLIMYSJ-QZTJIDSGSA-N
Mol Weight 498.34 g/mol
Molecular Formula C19H19IN2O4S
Exact Mass 498.011023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7JcxP9a6J
Name (4R,5R)-5-(4-iodophenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylic acid ethyl ester
Alternate Name(s) (4R,5R)-5-(4-iodophenyl)-1-tosyl-2-imidazoline-4-carboxylic acid ethyl ester Ethyl (4R,5R)-5-(4-iodophenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydroimidazole-4-carboxylate Ethyl (4R,5R)-5-(4-iodophenyl)-1-(p-tolylsulfonyl)-4,5-dihydroimidazole-4-carboxylate
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Formula C19H19IN2O4S
InChI InChI=1S/C19H19IN2O4S/c1-3-26-19(23)17-18(14-6-8-15(20)9-7-14)22(12-21-17)27(24,25)16-10-4-13(2)5-11-16/h4-12,17-18H,3H2,1-2H3/t17-,18-/m1/s1
InChIKey KOSZCKWYLIMYSJ-QZTJIDSGSA-N
Molecular Weight 498.335 g/mol
SMILES c1(S(N2[C@@]([C@](C(=O)OCC)(N=C2)[H])(c2ccc(cc2)I)[H])(=O)=O)ccc(cc1)C
SPLASH splash10-0006-0109100000-36f9b66f6571b19c0e2c
Source of Spectrum J-64-1333-6
Wiley ID 1529455