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(E)-3-(1-Benzenesulfonyl-2-cyanomethyl-2,3-dihydro-1H-indol-3-yl)-acrylic acid ethyl ester
SpectraBase Compound ID 7FEzryDISwS
InChI InChI=1S/C21H18N2O4S/c1-2-27-21(24)13-12-18-17-10-6-7-11-19(17)23(20(18)14-15-22)28(25,26)16-8-4-3-5-9-16/h3-13H,2,14H2,1H3/b13-12+
InChIKey FLFWLONYAJKROD-OUKQBFOZSA-N
Mol Weight 394.45 g/mol
Molecular Formula C21H18N2O4S
Exact Mass 394.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3q8dPQQKpO
Name (E)-3-(1-Benzenesulfonyl-2-cyanomethyl-2,3-dihydro-1H-indol-3-yl)-acrylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O4S
InChI InChI=1S/C21H18N2O4S/c1-2-27-21(24)13-12-18-17-10-6-7-11-19(17)23(20(18)14-15-22)28(25,26)16-8-4-3-5-9-16/h3-13H,2,14H2,1H3/b13-12+
InChIKey FLFWLONYAJKROD-OUKQBFOZSA-N
Molecular Weight 394.445 g/mol
SMILES c1(S([n]2c(c(\C=C\C(=O)OCC)c3c2cccc3)CC#N)(=O)=O)ccccc1
SPLASH splash10-0a4i-0094000000-32a9211870f27dc42e08
Source of Spectrum F-65-3601-22d
Synonyms Ethyl (E)-3-[1'-(phenylsulfonyl)-2'-cyanomethyl-indol-3'-yl]acrylate
Wiley ID 1680604