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(3E)-4-[3-Ethyl-5,6-dimethoxy-1-(4-methyl-phenyl)sulfonyl-1H-indol-2-yl]-but-3-en-2-one
SpectraBase Compound ID 5MazlB3OrD6
InChI InChI=1S/C23H25NO5S/c1-6-18-19-13-22(28-4)23(29-5)14-21(19)24(20(18)12-9-16(3)25)30(26,27)17-10-7-15(2)8-11-17/h7-14H,6H2,1-5H3/b12-9+
InChIKey LLVUAIXDRXOUQL-FMIVXFBMSA-N
Mol Weight 427.52 g/mol
Molecular Formula C23H25NO5S
Exact Mass 427.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GK23lRERrNp
Name (3E)-4-[3-Ethyl-5,6-dimethoxy-1-(4-methyl-phenyl)sulfonyl-1H-indol-2-yl]-but-3-en-2-one
Alternate Name(s) (3E)-4-[3-Ethyl-5,6-dimethoxy-1-(4-methylphenyl)sulfonyl-1H-indol-2-yl]but-3-en-2-one (E)-4-(3-ethyl-5,6-dimethoxy-1-tosyl-1H-indol-2-yl)but-3-en-2-one
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Formula C23H25NO5S
InChI InChI=1S/C23H25NO5S/c1-6-18-19-13-22(28-4)23(29-5)14-21(19)24(20(18)12-9-16(3)25)30(26,27)17-10-7-15(2)8-11-17/h7-14H,6H2,1-5H3/b12-9+
InChIKey LLVUAIXDRXOUQL-FMIVXFBMSA-N
Molecular Weight 427.515 g/mol
SMILES c1(S([n]2c(c(CC)c3c2cc(c(OC)c3)OC)\C=C\C(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-00fr-3091400000-319c2376f4193109623f
Source of Spectrum U1-2014-2513-3f
Wiley ID 1740808