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6-Bromo-2-[(4-chlorophenyl)sulfonylmethyl]-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester
SpectraBase Compound ID AGbsC0OvSjO
InChI InChI=1S/C20H19BrClNO5S/c1-4-28-20(24)19-14-9-18(27-3)15(21)10-16(14)23(2)17(19)11-29(25,26)13-7-5-12(22)6-8-13/h5-10H,4,11H2,1-3H3
InChIKey XXJMHTUHTFXXAQ-UHFFFAOYSA-N
Mol Weight 500.79 g/mol
Molecular Formula C20H19BrClNO5S
Exact Mass 498.985585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41TR5DVbjE
Name 6-Bromo-2-[(4-chlorophenyl)sulfonylmethyl]-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester
Alternate Name(s) 6-Bromo-2-[(4-chlorophenyl)sulfonylmethyl]-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester Ethyl 6-bromanyl-2-[(4-chlorophenyl)sulfonylmethyl]-5-methoxy-1-methyl-indole-3-carboxylate Ethyl 6-bromo-2-[(4-chlorophenyl)sulfonylmethyl]-5-methoxy-1-methyl-indole-3-carboxylate Ethyl 6-bromo-2-{[(4-chlorophenyl)sulfonyl]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylate
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Formula C20H19BrClNO5S
InChI InChI=1S/C20H19BrClNO5S/c1-4-28-20(24)19-14-9-18(27-3)15(21)10-16(14)23(2)17(19)11-29(25,26)13-7-5-12(22)6-8-13/h5-10H,4,11H2,1-3H3
InChIKey XXJMHTUHTFXXAQ-UHFFFAOYSA-N
Molecular Weight 500.791 g/mol
SMILES c1(c(c2cc(OC)c(cc2[n]1C)Br)C(=O)OCC)CS(c1ccc(Cl)cc1)(=O)=O
SPLASH splash10-00b9-2459000000-652db84af37b38cc3b6b
Wiley ID 1512163