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2-[(benzylthio)methyl]-6-bromo-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3GqxlJR848e
InChI InChI=1S/C21H22BrNO3S/c1-4-26-21(24)20-15-10-19(25-3)16(22)11-17(15)23(2)18(20)13-27-12-14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-3H3
InChIKey VKGCEDSUMGTQCE-UHFFFAOYSA-N
Mol Weight 448.38 g/mol
Molecular Formula C21H22BrNO3S
Exact Mass 447.050378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHoej0jAw26
Name 2-[(benzylthio)methyl]-6-bromo-5-methoxy-1-methyl-indole-3-carboxylic acid ethyl ester
Alternate Name(s) 6-Bromo-5-methoxy-1-methyl-2-[(phenylmethylthio)methyl]-3-indolecarboxylic acid ethyl ester Ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-methoxy-1-methyl-indole-3-carboxylate Ethyl 2-[(benzylsulfanyl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate Ethyl 6-bromanyl-5-methoxy-1-methyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate
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Formula C21H22BrNO3S
InChI InChI=1S/C21H22BrNO3S/c1-4-26-21(24)20-15-10-19(25-3)16(22)11-17(15)23(2)18(20)13-27-12-14-8-6-5-7-9-14/h5-11H,4,12-13H2,1-3H3
InChIKey VKGCEDSUMGTQCE-UHFFFAOYSA-N
Molecular Weight 448.375 g/mol
SMILES c1(c([n](C)c2c1cc(c(Br)c2)OC)CSCc1ccccc1)C(=O)OCC
SPLASH splash10-004j-2039200000-3298dbb55641ee83f001
Wiley ID 1436622