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(2S,3R)-5-Butyl-3-iodo-2-phenyl-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-pyrrole
SpectraBase Compound ID LV0y1zJE97m
InChI InChI=1S/C21H24INO2S/c1-3-4-10-18-15-20(22)21(17-8-6-5-7-9-17)23(18)26(24,25)19-13-11-16(2)12-14-19/h5-9,11-15,20-21H,3-4,10H2,1-2H3/t20-,21+/m1/s1
InChIKey BCMCYKXZRNPWFG-RTWAWAEBSA-N
Mol Weight 481.39 g/mol
Molecular Formula C21H24INO2S
Exact Mass 481.057245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXEvcmKc5tm
Name (2S,3R)-5-Butyl-3-iodo-2-phenyl-1-(toluene-4-sulfonyl)-2,3-dihydro-1H-pyrrole
Alternate Name(s) (2S,3R)-5-butyl-3-iodo-1-[(4-methylphenyl)sulfonyl]-2-phenyl-2,3-dihydro-1H-pyrrole 2-Phenyl-3-iodo-5-butyl-1-(4-tolylsulfonyl)-2,3-dihydropyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24INO2S
InChI InChI=1S/C21H24INO2S/c1-3-4-10-18-15-20(22)21(17-8-6-5-7-9-17)23(18)26(24,25)19-13-11-16(2)12-14-19/h5-9,11-15,20-21H,3-4,10H2,1-2H3/t20-,21+/m1/s1
InChIKey BCMCYKXZRNPWFG-RTWAWAEBSA-N
Molecular Weight 481.392 g/mol
SMILES C=1(N(S(c2ccc(cc2)C)(=O)=O)[C@]([C@@](C1)(I)[H])(c1ccccc1)[H])CCCC
SPLASH splash10-05ox-7904200000-96505ce93e5d4ee41d35
Source of Spectrum KC-61-9592-6
Wiley ID 1630821