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(3E)-4-[1-(4-Methyl-phenyl)sulfonyl-3-phenyl-1H-indol-2-yl]-but-3-en-2-one
SpectraBase Compound ID 3EbCais2TD7
InChI InChI=1S/C25H21NO3S/c1-18-12-15-21(16-13-18)30(28,29)26-23-11-7-6-10-22(23)25(20-8-4-3-5-9-20)24(26)17-14-19(2)27/h3-17H,1-2H3/b17-14+
InChIKey YEOPWTCADMTYJY-SAPNQHFASA-N
Mol Weight 415.51 g/mol
Molecular Formula C25H21NO3S
Exact Mass 415.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7Map29NxPD
Name (3E)-4-[1-(4-Methyl-phenyl)sulfonyl-3-phenyl-1H-indol-2-yl]-but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21NO3S
InChI InChI=1S/C25H21NO3S/c1-18-12-15-21(16-13-18)30(28,29)26-23-11-7-6-10-22(23)25(20-8-4-3-5-9-20)24(26)17-14-19(2)27/h3-17H,1-2H3/b17-14+
InChIKey YEOPWTCADMTYJY-SAPNQHFASA-N
Molecular Weight 415.507 g/mol
SMILES c1(S([n]2c(c(-c3ccccc3)c3c2cccc3)\C=C\C(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-00ou-5190200000-50e6116727f931c20ff3
Source of Spectrum U1-2014-2513-3g
Synonyms (3E)-4-[1-(4-Methylphenyl)sulfonyl-3-phenyl-1H-indol-2-yl]but-3-en-2-one (E)-4-(3-phenyl-1-tosyl-1H-indol-2-yl)but-3-en-2-one
Wiley ID 1740807