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3-Methyl-2-tosyl-4-(2-tosylethyl)pyrrole
SpectraBase Compound ID IYKNQOXpekg
InChI InChI=1S/C21H23NO4S2/c1-15-4-8-19(9-5-15)27(23,24)13-12-18-14-22-21(17(18)3)28(25,26)20-10-6-16(2)7-11-20/h4-11,14,22H,12-13H2,1-3H3
InChIKey BIOGHLNGUQCVEJ-UHFFFAOYSA-N
Mol Weight 417.54 g/mol
Molecular Formula C21H23NO4S2
Exact Mass 417.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3OEDyRyQ8Uc
Name 3-Methyl-2-tosyl-4-(2-tosylethyl)pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4S2
InChI InChI=1S/C21H23NO4S2/c1-15-4-8-19(9-5-15)27(23,24)13-12-18-14-22-21(17(18)3)28(25,26)20-10-6-16(2)7-11-20/h4-11,14,22H,12-13H2,1-3H3
InChIKey BIOGHLNGUQCVEJ-UHFFFAOYSA-N
Molecular Weight 417.538 g/mol
SMILES [nH]1cc(c(c1S(c1ccc(cc1)C)(=O)=O)C)CCS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-03dl-7090100000-5807899af0296b4f917b
Source of Spectrum AJ-67-3091-13
Synonyms 3-Methyl-2-[(4-methylphenyl)sulfonyl]-4-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-pyrrole
Wiley ID 772848