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2-Bromanyl-3-butyl-4-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrole
SpectraBase Compound ID 9Q8MLPbt80T
InChI InChI=1S/C16H20BrNO2S/c1-4-5-6-14-12(3)16(18-15(14)17)21(19,20)13-9-7-11(2)8-10-13/h7-10,18H,4-6H2,1-3H3
InChIKey LDCXJVYKYLHGNX-UHFFFAOYSA-N
Mol Weight 370.31 g/mol
Molecular Formula C16H20BrNO2S
Exact Mass 369.039813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 883GBZYyUOT
Name 2-Bromanyl-3-butyl-4-methyl-5-(4-methylphenyl)sulfonyl-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20BrNO2S
InChI InChI=1S/C16H20BrNO2S/c1-4-5-6-14-12(3)16(18-15(14)17)21(19,20)13-9-7-11(2)8-10-13/h7-10,18H,4-6H2,1-3H3
InChIKey LDCXJVYKYLHGNX-UHFFFAOYSA-N
Molecular Weight 370.305 g/mol
SMILES [nH]1c(c(c(c1S(c1ccc(cc1)C)(=O)=O)C)CCCC)Br
SPLASH splash10-00mw-6459000000-2985fdc7d83536efe9af
Source of Spectrum F-56-7880-10
Synonyms 2-Bromo-3-butyl-4-methyl-5-(p-tolylsulfonyl)-1H-pyrrole 2-Bromo-3-butyl-4-methyl-5-tosyl-1H-pyrrole
Wiley ID 858784