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methyl 1-(phenylsulfonyl)pyrrol-3-yl ketone
SpectraBase Compound ID 46YOlSvjth5
InChI InChI=1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey HTMLKRFQINMFRA-UHFFFAOYSA-N
Mol Weight 249.28 g/mol
Molecular Formula C12H11NO3S
Exact Mass 249.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72Z9toKUiNt
Name 1-[1-(Phenylsulfonyl)-1H-pyrrol-3-yl]ethanone
CAS Registry Number 81453-98-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3S
InChI InChI=1S/C12H11NO3S/c1-10(14)11-7-8-13(9-11)17(15,16)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey HTMLKRFQINMFRA-UHFFFAOYSA-N
Molecular Weight 249.284 g/mol
SMILES c1cccc(S([n]2cc(cc2)C(=O)C)(=O)=O)c1
SPLASH splash10-004i-9130000000-45005510a9997c203eb2
Synonyms 1-(1-Benzenesulfonyl-1H-pyrrol-3-yl)-ethanone 1-(1-besylpyrrol-3-yl)ethanone 1-[1-(benzenesulfonyl)-3-pyrrolyl]ethanone 1-[1-(benzenesulfonyl)pyrrol-3-yl]ethanone 1-[1-(phenylsulfonyl)pyrrol-3-yl]ethanone
Wiley ID 1481297