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1-(1-besylpyrrol-3-yl)-3-(1,3-dioxolan-2-yl)-2-(phenylthio)propan-1-one
SpectraBase Compound ID JtBczDscBQG
InChI InChI=1S/C22H21NO5S2/c24-22(17-11-12-23(16-17)30(25,26)19-9-5-2-6-10-19)20(15-21-27-13-14-28-21)29-18-7-3-1-4-8-18/h1-12,16,20-21H,13-15H2
InChIKey WAWWYKYDQJTDTH-UHFFFAOYSA-N
Mol Weight 443.53 g/mol
Molecular Formula C22H21NO5S2
Exact Mass 443.086115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ehY61zpihb
Name 1-(1-besylpyrrol-3-yl)-3-(1,3-dioxolan-2-yl)-2-(phenylthio)propan-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO5S2
InChI InChI=1S/C22H21NO5S2/c24-22(17-11-12-23(16-17)30(25,26)19-9-5-2-6-10-19)20(15-21-27-13-14-28-21)29-18-7-3-1-4-8-18/h1-12,16,20-21H,13-15H2
InChIKey WAWWYKYDQJTDTH-UHFFFAOYSA-N
Molecular Weight 443.532 g/mol
SMILES c1[n](S(=O)(=O)c2ccccc2)ccc1C(C(CC1OCCO1)Sc1ccccc1)=O
SPLASH splash10-00gi-9011000000-bf54eab4736960b96749
Source of Spectrum E1-43-42-10
Synonyms 1-[1-(benzenesulfonyl)-3-pyrrolyl]-3-(1,3-dioxolan-2-yl)-2-(phenylthio)-1-propanone 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxolan-2-yl)-2-phenylsulfanyl-propan-1-one 3-(1,3-dioxolan-2-yl)-2-phenylsulfanyl-1-[1-(phenylsulfonyl)pyrrol-3-yl]propan-1-one
Wiley ID 1552876