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(E)-3-(2-Benzenesulfinylmethyl-1-benzenesulfonyl-1H-indol-3-yl)-acrylic acid ethyl ester
SpectraBase Compound ID 1YbZzyEYwbc
InChI InChI=1S/C26H23NO5S2/c1-2-32-26(28)18-17-23-22-15-9-10-16-24(22)27(34(30,31)21-13-7-4-8-14-21)25(23)19-33(29)20-11-5-3-6-12-20/h3-18H,2,19H2,1H3/b18-17+
InChIKey NPZXUEIMNIHLES-ISLYRVAYSA-N
Mol Weight 493.59 g/mol
Molecular Formula C26H23NO5S2
Exact Mass 493.101765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbL7O7bf4KU
Name (E)-3-(2-Benzenesulfinylmethyl-1-benzenesulfonyl-1H-indol-3-yl)-acrylic acid ethyl ester
Alternate Name(s) Ethyl 3-[1-phenylsulfonyl-2-phenylsulfinylmethylindol-3-yl]acrylate (E)-3-[2-(benzenesulfinylmethyl)-1-(benzenesulfonyl)-3-indolyl]-2-propenoic acid ethyl ester ethyl (E)-3-[2-(benzenesulfinylmethyl)-1-(benzenesulfonyl)indol-3-yl]prop-2-enoate ethyl (E)-3-[2-(phenylsulfinylmethyl)-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C26H23NO5S2
InChI InChI=1S/C26H23NO5S2/c1-2-32-26(28)18-17-23-22-15-9-10-16-24(22)27(34(30,31)21-13-7-4-8-14-21)25(23)19-33(29)20-11-5-3-6-12-20/h3-18H,2,19H2,1H3/b18-17+
InChIKey NPZXUEIMNIHLES-ISLYRVAYSA-N
Molecular Weight 493.592 g/mol
SMILES c1(S([n]2c(c(\C=C\C(=O)OCC)c3c2cccc3)CS(=O)c2ccccc2)(=O)=O)ccccc1
SPLASH splash10-002r-0009700000-0ecfaac2ceef43c7f7d5
Source of Spectrum F-65-3597-4e
Wiley ID 1680615