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1-(1,3-dioxan-2-yl)-3-[1-(phenylsulfonyl)pyrrol-3-yl]propan-2-one
SpectraBase Compound ID umQ21BY7at
InChI InChI=1S/C17H19NO5S/c19-15(12-17-22-9-4-10-23-17)11-14-7-8-18(13-14)24(20,21)16-5-2-1-3-6-16/h1-3,5-8,13,17H,4,9-12H2
InChIKey GUSMMXRCMJYBSR-UHFFFAOYSA-N
Mol Weight 349.4 g/mol
Molecular Formula C17H19NO5S
Exact Mass 349.098394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G85eHqtDrlw
Name 1-(1,3-dioxan-2-yl)-3-[1-(phenylsulfonyl)pyrrol-3-yl]propan-2-one
Alternate Name(s) 1-(1-besylpyrrol-3-yl)-3-(1,3-dioxan-2-yl)acetone 1-[1-(benzenesulfonyl)-3-pyrrolyl]-3-(1,3-dioxan-2-yl)-2-propanone 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(1,3-dioxan-2-yl)propan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO5S
InChI InChI=1S/C17H19NO5S/c19-15(12-17-22-9-4-10-23-17)11-14-7-8-18(13-14)24(20,21)16-5-2-1-3-6-16/h1-3,5-8,13,17H,4,9-12H2
InChIKey GUSMMXRCMJYBSR-UHFFFAOYSA-N
Molecular Weight 349.401 g/mol
SMILES C(C(Cc1c[n](cc1)S(=O)(=O)c1ccccc1)=O)C1OCCCO1
SPLASH splash10-000i-9030000000-b53f969d27f87939d47b
Source of Spectrum E1-40-2349-22
Wiley ID 1519658