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(2S,3R)-3-Iodo-2,5-diphenyl-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-pyrrole
SpectraBase Compound ID LwcHj1cXOkR
InChI InChI=1S/C23H20INO2S/c1-17-12-14-20(15-13-17)28(26,27)25-22(18-8-4-2-5-9-18)16-21(24)23(25)19-10-6-3-7-11-19/h2-16,21,23H,1H3/t21-,23+/m1/s1
InChIKey AQGRQWGFTKINID-GGAORHGYSA-N
Mol Weight 501.38 g/mol
Molecular Formula C23H20INO2S
Exact Mass 501.025945 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jk6rpTRTNrh
Name (2S,3R)-3-Iodo-2,5-diphenyl-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-pyrrole
Alternate Name(s) (2S,3R)-3-iodo-1-[(4-methylphenyl)sulfonyl]-2,5-diphenyl-2,3-dihydro-1H-pyrrole 2,5-Diphenyl-3-iodo-1-(4-tolylsulfonyl)-2,3-dihydropyrrole
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Formula C23H20INO2S
InChI InChI=1S/C23H20INO2S/c1-17-12-14-20(15-13-17)28(26,27)25-22(18-8-4-2-5-9-18)16-21(24)23(25)19-10-6-3-7-11-19/h2-16,21,23H,1H3/t21-,23+/m1/s1
InChIKey AQGRQWGFTKINID-GGAORHGYSA-N
Molecular Weight 501.382 g/mol
SMILES c1(S(N2C(=C[C@]([C@@]2(c2ccccc2)[H])(I)[H])c2ccccc2)(=O)=O)ccc(cc1)C
SPLASH splash10-014i-2493000000-72c7bf47b02af435f11b
Source of Spectrum KC-61-9592-6
Wiley ID 1630822