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(3E)-4-[5-Chloro-1-(4-methyl-phenyl)sulfonyl-3-phenyl-1H-indol-2-yl-]-but-3-en-2-one
SpectraBase Compound ID IaXGTyNzotV
InChI InChI=1S/C25H20ClNO3S/c1-17-8-12-21(13-9-17)31(29,30)27-23-15-11-20(26)16-22(23)25(19-6-4-3-5-7-19)24(27)14-10-18(2)28/h3-16H,1-2H3/b14-10+
InChIKey QWAHBEMLYNOFSK-GXDHUFHOSA-N
Mol Weight 449.95 g/mol
Molecular Formula C25H20ClNO3S
Exact Mass 449.085242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1yF3wpQQ8K
Name (3E)-4-[5-Chloro-1-(4-methyl-phenyl)sulfonyl-3-phenyl-1H-indol-2-yl-]-but-3-en-2-one
Alternate Name(s) (3E)-4-[5-Chloro-1-(4-methylphenyl)sulfonyl-3-phenyl-1H-indol-2-yl-]but-3-en-2-one (E)-4-(5-chloro-3-phenyl-1-tosyl-1H-indol-2-yl)but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H20ClNO3S
InChI InChI=1S/C25H20ClNO3S/c1-17-8-12-21(13-9-17)31(29,30)27-23-15-11-20(26)16-22(23)25(19-6-4-3-5-7-19)24(27)14-10-18(2)28/h3-16H,1-2H3/b14-10+
InChIKey QWAHBEMLYNOFSK-GXDHUFHOSA-N
Molecular Weight 449.952 g/mol
SMILES c1(S([n]2c(c(-c3ccccc3)c3c2ccc(Cl)c3)\C=C\C(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0fr7-3090400000-c65c3d9bb58b9e1eb266
Source of Spectrum U1-2014-2513-3i
Wiley ID 1740805