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5-Bromo-2-(p-toluenesulfonyl)-4-(2'-fluorophenyl)-3-methyl-1H-pyrrole
SpectraBase Compound ID 3RfIdqMqE0F
InChI InChI=1S/C18H15BrFNO2S/c1-11-7-9-13(10-8-11)24(22,23)18-12(2)16(17(19)21-18)14-5-3-4-6-15(14)20/h3-10,21H,1-2H3
InChIKey JJHJWTRMEAVLDV-UHFFFAOYSA-N
Mol Weight 408.29 g/mol
Molecular Formula C18H15BrFNO2S
Exact Mass 406.999091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGiQZnsuzOK
Name 5-Bromo-2-(p-toluenesulfonyl)-4-(2'-fluorophenyl)-3-methyl-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15BrFNO2S
InChI InChI=1S/C18H15BrFNO2S/c1-11-7-9-13(10-8-11)24(22,23)18-12(2)16(17(19)21-18)14-5-3-4-6-15(14)20/h3-10,21H,1-2H3
InChIKey JJHJWTRMEAVLDV-UHFFFAOYSA-N
Molecular Weight 408.285 g/mol
SMILES [nH]1c(c(c(c1S(c1ccc(cc1)C)(=O)=O)C)-c1c(F)cccc1)Br
SPLASH splash10-0a4i-0901800000-71034125171794c78365
Source of Spectrum AH-132-1545-13
Synonyms 2-Bromo-3-(2-fluorophenyl)-4-methyl-5-[(4-methylphenyl)sulfonyl]-1H-pyrrole 5-Bromo-4-(2-fluorophenyl)-3-methyl-1H-pyrrol-2-yl 4-methylphenyl sulfone
Wiley ID 849918