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3-Bromomethyl-2-di(acetoxy)methyl-1-phenylsulfonylindole
SpectraBase Compound ID 1MvtUvT5ON0
InChI InChI=1S/C20H18BrNO6S/c1-13(23)27-20(28-14(2)24)19-17(12-21)16-10-6-7-11-18(16)22(19)29(25,26)15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3
InChIKey FEAFZAUAAALVBW-UHFFFAOYSA-N
Mol Weight 480.33 g/mol
Molecular Formula C20H18BrNO6S
Exact Mass 479.003821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqHo91smy54
Name 3-Bromomethyl-2-di(acetoxy)methyl-1-phenylsulfonylindole
Comments Less than 3 mono-isotopic peaks
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Formula C20H18BrNO6S
InChI InChI=1S/C20H18BrNO6S/c1-13(23)27-20(28-14(2)24)19-17(12-21)16-10-6-7-11-18(16)22(19)29(25,26)15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3
InChIKey FEAFZAUAAALVBW-UHFFFAOYSA-N
Molecular Weight 480.329 g/mol
SMILES c1([n](S(=O)(=O)c2ccccc2)c2ccccc2c1CBr)C(OC(=O)C)OC(=O)C
SPLASH splash10-0060-0000900000-261e74dc03d537c74bdf
Source of Spectrum U1-2011-932-15
Synonyms acetic acid [acetyloxy-[1-(benzenesulfonyl)-3-(bromomethyl)-2-indolyl]methyl] ester [acetyloxy-[1-(benzenesulfonyl)-3-(bromomethyl)indol-2-yl]methyl] acetate [acetoxy-[1-(benzenesulfonyl)-3-(bromomethyl)indol-2-yl]methyl] acetate [acetyloxy-[3-(bromomethyl)-1-(phenylsulfonyl)indol-2-yl]methyl] ethanoate
Wiley ID 1664927