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3-(Diacetoxymethyl)-1-phenylsulfonyl-2-bromomethyl-indole
SpectraBase Compound ID 4BqhNNCoGkg
InChI InChI=1S/C20H18BrNO6S/c1-13(23)27-20(28-14(2)24)19-16-10-6-7-11-17(16)22(18(19)12-21)29(25,26)15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3
InChIKey YVQDRYJTPPJURB-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 8fOUYdq8EzH
Name 3-(Diacetoxymethyl)-1-phenylsulfonyl-2-bromomethyl-indole
Alternate Name(s) acetic acid [acetyloxy-[1-(benzenesulfonyl)-2-(bromomethyl)-3-indolyl]methyl] ester [acetyloxy-[1-(benzenesulfonyl)-2-(bromomethyl)indol-3-yl]methyl] acetate [acetoxy-[1-(benzenesulfonyl)-2-(bromomethyl)indol-3-yl]methyl] acetate [acetyloxy-[2-(bromomethyl)-1-(phenylsulfonyl)indol-3-yl]methyl] ethanoate
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)19-16-10-6-7-11-17(16)22(18(19)12-21)29(25,26)15-8-4-3-5-9-15/h3-11,20H,12H2,1-2H3
InChIKey YVQDRYJTPPJURB-UHFFFAOYSA-N
Molecular Weight 480.329 g/mol
SMILES c1(S([n]2c(c(C(OC(=O)C)OC(=O)C)c3c2cccc3)CBr)(=O)=O)ccccc1
SPLASH splash10-0060-0000900000-261e74dc03d537c74bdf
Source of Spectrum U1-2011-928-5a
Wiley ID 1664939