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4,4-Dimethoxy-1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-1-butanone
SpectraBase Compound ID IyETRenrykY
InChI InChI=1S/C17H21NO5S/c1-13-4-6-15(7-5-13)24(20,21)18-11-10-14(12-18)16(19)8-9-17(22-2)23-3/h4-7,10-12,17H,8-9H2,1-3H3
InChIKey FSEOAFCJZZTKFA-UHFFFAOYSA-N
Mol Weight 351.42 g/mol
Molecular Formula C17H21NO5S
Exact Mass 351.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5KElMYdewP9
Name 4,4-Dimethoxy-1-[1-(4-methylphenyl)sulfonyl-3-pyrrolyl]-1-butanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5S
InChI InChI=1S/C17H21NO5S/c1-13-4-6-15(7-5-13)24(20,21)18-11-10-14(12-18)16(19)8-9-17(22-2)23-3/h4-7,10-12,17H,8-9H2,1-3H3
InChIKey FSEOAFCJZZTKFA-UHFFFAOYSA-N
Molecular Weight 351.417 g/mol
SMILES C(CCC(OC)OC)(=O)c1c[n](cc1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-07bv-9220000000-7d6c435588b2184bc84d
Source of Spectrum E1-40-2348-12
Synonyms 4,4-Dimethoxy-1-(1-tosylpyrrol-3-yl)butan-1-one 4,4-Dimethoxy-1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]butan-1-one 4,4-Dimethoxy-1-[1-(p-tolylsulfonyl)pyrrol-3-yl]butan-1-one
Wiley ID 1519669