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Ethyl 3-hydroxy-3-[4-bromo-1-(toluene-4-sulfonyl)-1H-indol-3-yl]propionate
SpectraBase Compound ID 8EfZuBkLCJ9
InChI InChI=1S/C20H20BrNO5S/c1-3-27-19(24)11-18(23)15-12-22(17-6-4-5-16(21)20(15)17)28(25,26)14-9-7-13(2)8-10-14/h4-10,12,18,23H,3,11H2,1-2H3
InChIKey YRUIVUBJTTUUJV-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 95ikRiy141r
Name Ethyl 3-hydroxy-3-[4-bromo-1-(toluene-4-sulfonyl)-1H-indol-3-yl]propionate
Comments Less than 3 mono-isotopic peaks
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Formula C20H20BrNO5S
InChI InChI=1S/C20H20BrNO5S/c1-3-27-19(24)11-18(23)15-12-22(17-6-4-5-16(21)20(15)17)28(25,26)14-9-7-13(2)8-10-14/h4-10,12,18,23H,3,11H2,1-2H3
InChIKey YRUIVUBJTTUUJV-UHFFFAOYSA-N
Molecular Weight 466.346 g/mol
SMILES OC(CC(=O)OCC)c1c[n](c2c1c(ccc2)Br)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0006-9000100000-ca477c9f6af0cb41a8eb
Source of Spectrum O1-56-528-7
Synonyms ethyl 3-{4-bromo-1-[(4-methylphenyl)sulfonyl]-1H-indol-3-yl}-3-hydroxypropanoate
Wiley ID 1591688