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(3Z)-3-(4-bromobenzylidene)-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole
SpectraBase Compound ID AYnFm2eCgFD
InChI InChI=1S/C22H16BrN3O6S/c1-14-2-8-19(9-3-14)33(31,32)24-13-16(10-15-4-6-17(23)7-5-15)22-20(24)11-18(25(27)28)12-21(22)26(29)30/h2-12H,13H2,1H3/b16-10+
InChIKey LFOYCWSVGHYJCC-MHWRWJLKSA-N
Mol Weight 530.35 g/mol
Molecular Formula C22H16BrN3O6S
Exact Mass 528.994319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3SmPDRpoYn
Name (3Z)-3-(4-bromobenzylidene)-1-[(4-methylphenyl)sulfonyl]-4,6-dinitro-2,3-dihydro-1H-indole
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Formula C22H16BrN3O6S
InChI InChI=1S/C22H16BrN3O6S/c1-14-2-8-19(9-3-14)33(31,32)24-13-16(10-15-4-6-17(23)7-5-15)22-20(24)11-18(25(27)28)12-21(22)26(29)30/h2-12H,13H2,1H3/b16-10+
InChIKey LFOYCWSVGHYJCC-MHWRWJLKSA-N
Molecular Weight 530.349 g/mol
SMILES c1(c2c(cc(c1)N(=O)=O)N(C\C2=C\c1ccc(cc1)Br)S(=O)(=O)c1ccc(cc1)C)N(=O)=O
SPLASH splash10-002f-9433000000-066e0036500a07d2545a
Synonyms (3Z)-3-(4-bromobenzylidene)-4,6-dinitro-1-tosyl-indoline (3Z)-3-[(4-bromophenyl)methylene]-4,6-dinitro-1-(p-tolylsulfonyl)indoline (3Z)-3-[(4-bromophenyl)methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole
Wiley ID 1512314