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Methyl 5-bromo-3-methyl-1-(2-phenylsulfonylethyl)indole-2-carboxylate
SpectraBase Compound ID 6FxtGBnekMc
InChI InChI=1S/C19H18BrNO4S/c1-13-16-12-14(20)8-9-17(16)21(18(13)19(22)25-2)10-11-26(23,24)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKey PDWMOROYWSCCNE-UHFFFAOYSA-N
Mol Weight 436.32 g/mol
Molecular Formula C19H18BrNO4S
Exact Mass 435.013992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6GEw10kDET
Name Methyl 5-bromo-3-methyl-1-(2-phenylsulfonylethyl)indole-2-carboxylate
Alternate Name(s) Methyl 5-bromo-3-methyl-1-[2-(phenylsulfonyl)ethyl]-1H-indole-2-carboxylate
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Formula C19H18BrNO4S
InChI InChI=1S/C19H18BrNO4S/c1-13-16-12-14(20)8-9-17(16)21(18(13)19(22)25-2)10-11-26(23,24)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKey PDWMOROYWSCCNE-UHFFFAOYSA-N
Molecular Weight 436.320 g/mol
SMILES c1([n](c2ccc(cc2c1C)Br)CCS(=O)(=O)c1ccccc1)C(=O)OC
SPLASH splash10-000l-1090500000-517e2ca422d822545d67
Source of Spectrum K-2002-1684-11
Wiley ID 1612920