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3-Butyl-4-methyl-2-(p-tolylsulfonyl)-1H-pyrrole
SpectraBase Compound ID 4WPNhAHzEdy
InChI InChI=1S/C16H21NO2S/c1-4-5-6-15-13(3)11-17-16(15)20(18,19)14-9-7-12(2)8-10-14/h7-11,17H,4-6H2,1-3H3
InChIKey PAAWKICRCIEMQC-UHFFFAOYSA-N
Mol Weight 291.41 g/mol
Molecular Formula C16H21NO2S
Exact Mass 291.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HK2Hgmae7aj
Name 3-Butyl-4-methyl-2-(p-tolylsulfonyl)-1H-pyrrole
Alternate Name(s) 3-Butyl-4-methyl-2-tosyl-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO2S
InChI InChI=1S/C16H21NO2S/c1-4-5-6-15-13(3)11-17-16(15)20(18,19)14-9-7-12(2)8-10-14/h7-11,17H,4-6H2,1-3H3
InChIKey PAAWKICRCIEMQC-UHFFFAOYSA-N
Molecular Weight 291.409 g/mol
SMILES [nH]1cc(c(c1S(c1ccc(cc1)C)(=O)=O)CCCC)C
SPLASH splash10-0006-9210000000-e29012b4f2e479d87211
Source of Spectrum F-56-7880-13
Wiley ID 858783