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1-(1-besylpyrrol-3-yl)-4,4-dimethoxy-3-methyl-2-(phenylthio)butan-1-one
SpectraBase Compound ID 5MJfdGcC0UE
InChI InChI=1S/C23H25NO5S2/c1-17(23(28-2)29-3)22(30-19-10-6-4-7-11-19)21(25)18-14-15-24(16-18)31(26,27)20-12-8-5-9-13-20/h4-17,22-23H,1-3H3
InChIKey ALYPLJXOXPXVSP-UHFFFAOYSA-N
Mol Weight 459.58 g/mol
Molecular Formula C23H25NO5S2
Exact Mass 459.117415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERNSsHNHHh7
Name 1-(1-besylpyrrol-3-yl)-4,4-dimethoxy-3-methyl-2-(phenylthio)butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO5S2
InChI InChI=1S/C23H25NO5S2/c1-17(23(28-2)29-3)22(30-19-10-6-4-7-11-19)21(25)18-14-15-24(16-18)31(26,27)20-12-8-5-9-13-20/h4-17,22-23H,1-3H3
InChIKey ALYPLJXOXPXVSP-UHFFFAOYSA-N
Molecular Weight 459.575 g/mol
SMILES c1[n](ccc1C(C(C(C(OC)OC)C)Sc1ccccc1)=O)S(=O)(=O)c1ccccc1
SPLASH splash10-004i-9010000000-3237a2198d63b0e2b6d5
Source of Spectrum E1-43-43-10
Synonyms 1-[1-(benzenesulfonyl)-3-pyrrolyl]-4,4-dimethoxy-3-methyl-2-(phenylthio)-1-butanone 1-[1-(benzenesulfonyl)pyrrol-3-yl]-4,4-dimethoxy-3-methyl-2-phenylsulfanyl-butan-1-one 4,4-Dimethoxy-3-methyl-2-phenylsulfanyl-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one
Wiley ID 1552870