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1H-Indole-3-carboxylic acid, 6-bromo-5-methoxy-1-methyl-2-[(phenylsulfonyl)methyl]-, ethyl ester
SpectraBase Compound ID G4Vpv1p1Qu3
InChI InChI=1S/C20H20BrNO5S/c1-4-27-20(23)19-14-10-18(26-3)15(21)11-16(14)22(2)17(19)12-28(24,25)13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3
InChIKey JIKLJNZKHFXHKY-UHFFFAOYSA-N
Mol Weight 466.35 g/mol
Molecular Formula C20H20BrNO5S
Exact Mass 465.024557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53fHNKAygK
Name 1H-Indole-3-carboxylic acid, 6-bromo-5-methoxy-1-methyl-2-[(phenylsulfonyl)methyl]-, ethyl ester
Alternate Name(s) 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-methyl-3-indolecarboxylic acid ethyl ester Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-methylindole-3-carboxylate Ethyl 2-(benzenesulfonylmethyl)-6-bromo-5-methoxy-1-methyl-indole-3-carboxylate Ethyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfonylmethyl)indole-3-carboxylate
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Formula C20H20BrNO5S
InChI InChI=1S/C20H20BrNO5S/c1-4-27-20(23)19-14-10-18(26-3)15(21)11-16(14)22(2)17(19)12-28(24,25)13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3
InChIKey JIKLJNZKHFXHKY-UHFFFAOYSA-N
Molecular Weight 466.346 g/mol
SMILES c1(c(c2cc(OC)c(cc2[n]1C)Br)C(=O)OCC)CS(=O)(=O)c1ccccc1
SPLASH splash10-00b9-4379000000-29c1dedca0151b34bec5
Source of Spectrum IY-1-4487-4
Wiley ID 1652857