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3-[1-(Ethoxycarbonyl)vinyl]-1-phenylsulfonyl-2-(phenylsulfinylmethyl)indole
SpectraBase Compound ID 9O0em14ZWNY
InChI InChI=1S/C26H23NO5S2/c1-3-32-26(28)19(2)25-22-16-10-11-17-23(22)27(34(30,31)21-14-8-5-9-15-21)24(25)18-33(29)20-12-6-4-7-13-20/h4-17H,2-3,18H2,1H3
InChIKey USXXMBVHPOSRPB-UHFFFAOYSA-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 9gzJ2algklz
Name 3-[1-(Ethoxycarbonyl)vinyl]-1-phenylsulfonyl-2-(phenylsulfinylmethyl)indole
Alternate Name(s) ethyl 2-[2-[(phenylsulfinyl)methyl]-1-(phenylsulfonyl)-1H-indol-3-yl]acrylate
Comments Less than 3 mono-isotopic peaks
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Formula C26H23NO5S2
InChI InChI=1S/C26H23NO5S2/c1-3-32-26(28)19(2)25-22-16-10-11-17-23(22)27(34(30,31)21-14-8-5-9-15-21)24(25)18-33(29)20-12-6-4-7-13-20/h4-17H,2-3,18H2,1H3
InChIKey USXXMBVHPOSRPB-UHFFFAOYSA-N
Molecular Weight 493.592 g/mol
SMILES c1([n](c2ccccc2c1C(=C)C(=O)OCC)S(=O)(=O)c1ccccc1)CS(=O)c1ccccc1
SPLASH splash10-03fr-0009500000-7aa078b4032f36bb0460
Source of Spectrum Y1-46-4233-2
Wiley ID 1622513