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2(S)-Butyl-3(R)-iodo-5-hexyl-1-(4-tolylsulfonyl)-2,3-dihydropyrrole
SpectraBase Compound ID E26QnzHJba8
InChI InChI=1S/C21H32INO2S/c1-4-6-8-9-10-18-16-20(22)21(11-7-5-2)23(18)26(24,25)19-14-12-17(3)13-15-19/h12-16,20-21H,4-11H2,1-3H3/t20-,21+/m1/s1
InChIKey ONDZIILAXJBIJS-RTWAWAEBSA-N
Mol Weight 489.5 g/mol
Molecular Formula C21H32INO2S
Exact Mass 489.119845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1aVQF9sFWvC
Name 2(S)-Butyl-3(R)-iodo-5-hexyl-1-(4-tolylsulfonyl)-2,3-dihydropyrrole
Alternate Name(s) (2S,3R)-2-butyl-5-hexyl-3-iodo-1-[(4-methylphenyl)sulfonyl]-2,3-dihydro-1H-pyrrole 2-Butyl-3-iodo-5-hexyl-1-(4-tolylsulfonyl)-2,3-dihydropyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32INO2S
InChI InChI=1S/C21H32INO2S/c1-4-6-8-9-10-18-16-20(22)21(11-7-5-2)23(18)26(24,25)19-14-12-17(3)13-15-19/h12-16,20-21H,4-11H2,1-3H3/t20-,21+/m1/s1
InChIKey ONDZIILAXJBIJS-RTWAWAEBSA-N
Molecular Weight 489.456 g/mol
SMILES C=1(N(S(c2ccc(cc2)C)(=O)=O)[C@]([C@@](C1)(I)[H])(CCCC)[H])CCCCCC
SPLASH splash10-01ox-8039300000-a93588f8885c557ef4fa
Source of Spectrum KC-61-9592-6
Wiley ID 1630820