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(3E)-4-[5,6-Dimethoxy-3-methyl-1-(4-methyl-phenyl)sulfonyl-1H-indol-2-yl]-but-3-en-2-one
SpectraBase Compound ID Aa4qRS3UG9n
InChI InChI=1S/C22H23NO5S/c1-14-6-9-17(10-7-14)29(25,26)23-19(11-8-15(2)24)16(3)18-12-21(27-4)22(28-5)13-20(18)23/h6-13H,1-5H3/b11-8+
InChIKey QPWCMIVXDFXJCG-DHZHZOJOSA-N
Mol Weight 413.49 g/mol
Molecular Formula C22H23NO5S
Exact Mass 413.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YXEjd9hJLm
Name (3E)-4-[5,6-Dimethoxy-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 C22H23NO5S
InChI InChI=1S/C22H23NO5S/c1-14-6-9-17(10-7-14)29(25,26)23-19(11-8-15(2)24)16(3)18-12-21(27-4)22(28-5)13-20(18)23/h6-13H,1-5H3/b11-8+
InChIKey QPWCMIVXDFXJCG-DHZHZOJOSA-N
Molecular Weight 413.488 g/mol
SMILES c1(S([n]2c(c(C)c3c2cc(c(OC)c3)OC)\C=C\C(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0o6u-2090400000-fa6ec385b962ccf7afe5
Source of Spectrum U1-2014-2512-3e
Synonyms (3E)-4-[5,6-Dimethoxy-3-methyl-1-(4-methylphenyl)sulfonyl-1Hindol-2-yl]but-3-en-2-one (E)-4-(5,6-dimethoxy-3-methyl-1-tosyl-1H-indol-2-yl)but-3-en-2-one (E)-4-[5,6-dimethoxy-3-methyl-1-(4-methylphenyl)sulfonyl-2-indolyl]-3-buten-2-one (E)-4-[5,6-dimethoxy-3-methyl-1-(4-methylphenyl)sulfonylindol-2-yl]but-3-en-2-one (E)-4-[5,6-dimethoxy-3-methyl-1-(p-tolylsulfonyl)indol-2-yl]but-3-en-2-one (E)-4-[5,6-dimethoxy-3-methyl-1-(4-methylphenyl)sulfonyl-indol-2-yl]but-3-en-2-one
Wiley ID 1740809