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Ethyl-3-[2-(phenylthiomethyl)-1-(phenylsulfonyl)-indol-3-yl]-acrylate
SpectraBase Compound ID F9pe10Jt3hT
InChI InChI=1S/C26H23NO4S2/c1-2-31-26(28)18-17-23-22-15-9-10-16-24(22)27(33(29,30)21-13-7-4-8-14-21)25(23)19-32-20-11-5-3-6-12-20/h3-18H,2,19H2,1H3/b18-17+
InChIKey WBCOZOLECYSSHH-ISLYRVAYSA-N
Mol Weight 477.59 g/mol
Molecular Formula C26H23NO4S2
Exact Mass 477.106851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7BdjS1X2rkE
Name Ethyl-3-[2-(phenylthiomethyl)-1-(phenylsulfonyl)-indol-3-yl]-acrylate
Alternate Name(s) (E)-3-[1-(benzenesulfonyl)-2-[(phenylthio)methyl]-3-indolyl]-2-propenoic acid ethyl ester ethyl (E)-3-[1-(benzenesulfonyl)-2-(phenylsulfanylmethyl)indol-3-yl]prop-2-enoate ethyl (E)-3-[2-(phenylsulfanylmethyl)-1-(phenylsulfonyl)indol-3-yl]prop-2-enoate
Comments Less than 3 mono-isotopic peaks
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Formula C26H23NO4S2
InChI InChI=1S/C26H23NO4S2/c1-2-31-26(28)18-17-23-22-15-9-10-16-24(22)27(33(29,30)21-13-7-4-8-14-21)25(23)19-32-20-11-5-3-6-12-20/h3-18H,2,19H2,1H3/b18-17+
InChIKey WBCOZOLECYSSHH-ISLYRVAYSA-N
Molecular Weight 477.593 g/mol
SMILES c1(S([n]2c(c(\C=C\C(=O)OCC)c3c2cccc3)CSc2ccccc2)(=O)=O)ccccc1
SPLASH splash10-004i-0000900000-c1bf360209b778ccfd6c
Source of Spectrum F-65-3596-3e
Wiley ID 1680618