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3-Isopropylidene-4-[1-[2-methyl-1-(toluene-4-sulfonyl)-1H-indol-3-yl]-eth-(Z)-ylidene]-dihydro-furan-2,5-dione
SpectraBase Compound ID 2x4JpuggBi2
InChI InChI=1S/C25H23NO5S/c1-14(2)21-23(25(28)31-24(21)27)16(4)22-17(5)26(20-9-7-6-8-19(20)22)32(29,30)18-12-10-15(3)11-13-18/h6-13H,1-5H3/b23-16-
InChIKey LGQMOODCCRPIFI-KQWNVCNZSA-N
Mol Weight 449.52 g/mol
Molecular Formula C25H23NO5S
Exact Mass 449.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVOhdcsZw9a
Name 3-Isopropylidene-4-[1-[2-methyl-1-(toluene-4-sulfonyl)-1H-indol-3-yl]-eth-(Z)-ylidene]-dihydro-furan-2,5-dione
Comments Less than 3 mono-isotopic peaks
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Formula C25H23NO5S
InChI InChI=1S/C25H23NO5S/c1-14(2)21-23(25(28)31-24(21)27)16(4)22-17(5)26(20-9-7-6-8-19(20)22)32(29,30)18-12-10-15(3)11-13-18/h6-13H,1-5H3/b23-16-
InChIKey LGQMOODCCRPIFI-KQWNVCNZSA-N
Molecular Weight 449.521 g/mol
SMILES c1(S([n]2c(c(\C(=C/3C(OC(C3=C(C)C)=O)=O)C)c3c2cccc3)C)(=O)=O)ccc(cc1)C
SPLASH splash10-0007-0080900000-36e4de4e58f437beb026
Source of Spectrum AJ-68-2966-11
Synonyms (4Z)-3-(1-methylethylidene)-4-(1-{2-methyl-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}ethylidene)dihydro-2,5-furandione (Z)-3-Isopropylidene-4-{1-[2-methyl1-(4-tolylsulfonyl)-3-indolyl)ethylidene]-3,4-dihydro-2,5-furandione
Wiley ID 773340