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(E)-4-[1-(Toluene-4-sulfonyl)-1H-pyrrol-3-yl]but-3-en-2-one
SpectraBase Compound ID AbEHvIl8Z6A
InChI InChI=1S/C15H15NO3S/c1-12-3-7-15(8-4-12)20(18,19)16-10-9-14(11-16)6-5-13(2)17/h3-11H,1-2H3/b6-5+
InChIKey WSZRYBBAVYWUGG-AATRIKPKSA-N
Mol Weight 289.35 g/mol
Molecular Formula C15H15NO3S
Exact Mass 289.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KdbqNQ92Xw
Name (E)-4-[1-(Toluene-4-sulfonyl)-1H-pyrrol-3-yl]but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15NO3S
InChI InChI=1S/C15H15NO3S/c1-12-3-7-15(8-4-12)20(18,19)16-10-9-14(11-16)6-5-13(2)17/h3-11H,1-2H3/b6-5+
InChIKey WSZRYBBAVYWUGG-AATRIKPKSA-N
Molecular Weight 289.349 g/mol
SMILES CC(\C=C\c1c[n](cc1)S(=O)(=O)c1ccc(cc1)C)=O
SPLASH splash10-0ka6-9760000000-67ebcb6fad2250217544
Source of Spectrum F4-0-1496-4
Synonyms (3E)-4-{1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl}-3-buten-2-one
Wiley ID 1619692