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(3E)-4-[3-Methyl-1-(4-methyl-phenyl)sulfonyl-1H-indol-2-yl]-but-3-en-2-one
SpectraBase Compound ID EGIqcAt83NY
InChI InChI=1S/C20H19NO3S/c1-14-8-11-17(12-9-14)25(23,24)21-19(13-10-15(2)22)16(3)18-6-4-5-7-20(18)21/h4-13H,1-3H3/b13-10+
InChIKey LVZCWDOJBWZARX-JLHYYAGUSA-N
Mol Weight 353.44 g/mol
Molecular Formula C20H19NO3S
Exact Mass 353.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ESjQmA5FFMv
Name (3E)-4-[3-Methyl-1-(4-methyl-phenyl)sulfonyl-1H-indol-2-yl]-but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO3S
InChI InChI=1S/C20H19NO3S/c1-14-8-11-17(12-9-14)25(23,24)21-19(13-10-15(2)22)16(3)18-6-4-5-7-20(18)21/h4-13H,1-3H3/b13-10+
InChIKey LVZCWDOJBWZARX-JLHYYAGUSA-N
Molecular Weight 353.436 g/mol
SMILES c1(S([n]2c(c(C)c3c2cccc3)\C=C\C(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-052e-4902000000-c3bf25544055ed688faf
Source of Spectrum U1-2014-2513-3h
Synonyms (3E)-4-[3-Methyl-1-(4-methylphenyl)sulfonyl-1H-indol-2-yl]but-3-en-2-one (E)-4-(3-methyl-1-tosyl-1H-indol-2-yl)but-3-en-2-one
Wiley ID 1740806