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5-Bromo-4-methyl-3-phenyl-2-p-toluenesulfonyl-1H-pyrrole
SpectraBase Compound ID IfdWd6udHfg
InChI InChI=1S/C18H16BrNO2S/c1-12-8-10-15(11-9-12)23(21,22)18-16(13(2)17(19)20-18)14-6-4-3-5-7-14/h3-11,20H,1-2H3
InChIKey ZHLZUHRUAFHFKH-UHFFFAOYSA-N
Mol Weight 390.3 g/mol
Molecular Formula C18H16BrNO2S
Exact Mass 389.008513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49dO1AxJlg
Name 5-Bromo-4-methyl-3-phenyl-2-p-toluenesulfonyl-1H-pyrrole
Alternate Name(s) 2-Bromo-3-methyl-5-[(4-methylphenyl)sulfonyl]-4-phenyl-1H-pyrrole 5-Bromo-4-methyl-3-phenyl-1H-pyrrol-2-yl 4-methylphenyl sulfone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16BrNO2S
InChI InChI=1S/C18H16BrNO2S/c1-12-8-10-15(11-9-12)23(21,22)18-16(13(2)17(19)20-18)14-6-4-3-5-7-14/h3-11,20H,1-2H3
InChIKey ZHLZUHRUAFHFKH-UHFFFAOYSA-N
Molecular Weight 390.295 g/mol
SMILES [nH]1c(c(c(c1S(=O)(=O)c1ccc(cc1)C)-c1ccccc1)C)Br
SPLASH splash10-0f76-0319000000-f3996e4d327c42e13952
Source of Spectrum KC-57-7824-12
Wiley ID 1625681