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N-Tosyl-4-benzyloxy-3-[N,N-(dimethylamino)-1-oxo-2-propen-1-yl]-7-bromoindole
SpectraBase Compound ID Dsn02R3lkJj
InChI InChI=1S/C27H25BrN2O4S/c1-19-9-11-21(12-10-19)35(32,33)30-17-22(24(31)15-16-29(2)3)26-25(14-13-23(28)27(26)30)34-18-20-7-5-4-6-8-20/h4-17H,18H2,1-3H3/b16-15+
InChIKey XBSYNCPEMAQZCC-FOCLMDBBSA-N
Mol Weight 553.47 g/mol
Molecular Formula C27H25BrN2O4S
Exact Mass 552.071841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LwMF4XSQQO
Name N-Tosyl-4-benzyloxy-3-[N,N-(dimethylamino)-1-oxo-2-propen-1-yl]-7-bromoindole
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Formula C27H25BrN2O4S
InChI InChI=1S/C27H25BrN2O4S/c1-19-9-11-21(12-10-19)35(32,33)30-17-22(24(31)15-16-29(2)3)26-25(14-13-23(28)27(26)30)34-18-20-7-5-4-6-8-20/h4-17H,18H2,1-3H3/b16-15+
InChIKey XBSYNCPEMAQZCC-FOCLMDBBSA-N
Molecular Weight 553.471 g/mol
SMILES c1(S([n]2c3c(c(OCc4ccccc4)ccc3Br)c(c2)C(\C=C\N(C)C)=O)(=O)=O)ccc(cc1)C
SPLASH splash10-006y-7039040000-0c984e52e563927886c2
Source of Spectrum KC-57-2360-4
Synonyms (E)-1-[7-bromo-1-(4-methylphenyl)sulfonyl-4-phenylmethoxy-3-indolyl]-3-(dimethylamino)-2-propen-1-one (E)-1-[7-bromo-1-(4-methylphenyl)sulfonyl-4-phenylmethoxyindol-3-yl]-3-(dimethylamino)prop-2-en-1-one (E)-1-[4-benzyloxy-7-bromo-1-(p-tolylsulfonyl)indol-3-yl]-3-(dimethylamino)prop-2-en-1-one (E)-1-[7-bromanyl-1-(4-methylphenyl)sulfonyl-4-phenylmethoxy-indol-3-yl]-3-(dimethylamino)prop-2-en-1-one
Wiley ID 1623435