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(3Z)-4-[1-(4-Methyl-phenyl)sulfonyl-5-nitro-3-phenyl-1H-indol-2-yl]-but-3-en-2-one
SpectraBase Compound ID D9b8gyTv7Nr
InChI InChI=1S/C25H20N2O5S/c1-17-8-12-21(13-9-17)33(31,32)26-23-15-11-20(27(29)30)16-22(23)25(19-6-4-3-5-7-19)24(26)14-10-18(2)28/h3-16H,1-2H3/b14-10-
InChIKey YPDCUQMDCDTSNF-UVTDQMKNSA-N
Mol Weight 460.5 g/mol
Molecular Formula C25H20N2O5S
Exact Mass 460.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDxVljQfMxe
Name (3Z)-4-[1-(4-Methyl-phenyl)sulfonyl-5-nitro-3-phenyl-1H-indol-2-yl]-but-3-en-2-one
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Formula C25H20N2O5S
InChI InChI=1S/C25H20N2O5S/c1-17-8-12-21(13-9-17)33(31,32)26-23-15-11-20(27(29)30)16-22(23)25(19-6-4-3-5-7-19)24(26)14-10-18(2)28/h3-16H,1-2H3/b14-10-
InChIKey YPDCUQMDCDTSNF-UVTDQMKNSA-N
Molecular Weight 460.504 g/mol
SMILES c1(S([n]2c(c(-c3ccccc3)c3c2ccc(N(=O)=O)c3)\C=C/C(=O)C)(=O)=O)ccc(cc1)C
SPLASH splash10-08fr-3192300000-529318b306bf0dee82f2
Source of Spectrum U1-2014-2513-3j
Synonyms (3Z)-4-[1-(4-Methylphenyl)sulfonyl-5-nitro-3-phenyl-1H-indol-2-yl]but-3-en-2-one (Z)-4-(5-nitro-3-phenyl-1-tosyl-1H-indol-2-yl)but-3-en-2-one
Wiley ID 1740804