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2-Bromo-4-methyl-5-tosyl-3-(2-tosylethyl)pyrrole
SpectraBase Compound ID BxCXeM9f8S6
InChI InChI=1S/C21H22BrNO4S2/c1-14-4-8-17(9-5-14)28(24,25)13-12-19-16(3)21(23-20(19)22)29(26,27)18-10-6-15(2)7-11-18/h4-11,23H,12-13H2,1-3H3
InChIKey PESPPDBPARHNLE-UHFFFAOYSA-N
Mol Weight 496.43 g/mol
Molecular Formula C21H22BrNO4S2
Exact Mass 495.017364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUJxldJi3ru
Name 2-Bromo-4-methyl-5-tosyl-3-(2-tosylethyl)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22BrNO4S2
InChI InChI=1S/C21H22BrNO4S2/c1-14-4-8-17(9-5-14)28(24,25)13-12-19-16(3)21(23-20(19)22)29(26,27)18-10-6-15(2)7-11-18/h4-11,23H,12-13H2,1-3H3
InChIKey PESPPDBPARHNLE-UHFFFAOYSA-N
Molecular Weight 496.434 g/mol
SMILES [nH]1c(c(c(c1S(c1ccc(cc1)C)(=O)=O)C)CCS(c1ccc(cc1)C)(=O)=O)Br
SPLASH splash10-03e9-9002000000-04b1b1eb8993b6f312b2
Source of Spectrum AJ-67-3092-14
Synonyms 2-Bromo-4-methyl-5-[(4-methylphenyl)sulfonyl]-3-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-pyrrole
Wiley ID 772847