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1-(1-besylpyrrol-3-yl)-2-bromo-3-(1,3-dioxan-2-yl)butan-1-one
SpectraBase Compound ID CpThC9JPUMo
InChI InChI=1S/C18H20BrNO5S/c1-13(18-24-10-5-11-25-18)16(19)17(21)14-8-9-20(12-14)26(22,23)15-6-3-2-4-7-15/h2-4,6-9,12-13,16,18H,5,10-11H2,1H3
InChIKey GCFYZINZSULGEY-UHFFFAOYSA-N
Mol Weight 442.32 g/mol
Molecular Formula C18H20BrNO5S
Exact Mass 441.024557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JE3VERsYujv
Name 1-(1-besylpyrrol-3-yl)-2-bromo-3-(1,3-dioxan-2-yl)butan-1-one
Alternate Name(s) 1-[1-(benzenesulfonyl)-3-pyrrolyl]-2-bromo-3-(1,3-dioxan-2-yl)-1-butanone 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-bromo-3-(1,3-dioxan-2-yl)butan-1-one 2-Bromanyl-3-(1,3-dioxan-2-yl)-1-[1-(phenylsulfonyl)pyrrol-3-yl]butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20BrNO5S
InChI InChI=1S/C18H20BrNO5S/c1-13(18-24-10-5-11-25-18)16(19)17(21)14-8-9-20(12-14)26(22,23)15-6-3-2-4-7-15/h2-4,6-9,12-13,16,18H,5,10-11H2,1H3
InChIKey GCFYZINZSULGEY-UHFFFAOYSA-N
Molecular Weight 442.324 g/mol
SMILES c1[n](ccc1C(C(C(C)C1OCCCO1)Br)=O)S(=O)(=O)c1ccccc1
SPLASH splash10-002r-9021000000-ffd3c39f51594e5ab1d1
Source of Spectrum E1-43-43-10
Wiley ID 1552871