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5-Bromo-3-[3-(tosylamino)prop-1-ynyl]indole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID Gtm4IxaZGBd
InChI InChI=1S/C23H23BrN2O4S/c1-16-7-10-19(11-8-16)31(28,29)25-13-5-6-17-15-26(22(27)30-23(2,3)4)21-12-9-18(24)14-20(17)21/h7-12,14-15,25H,13H2,1-4H3
InChIKey VWRHWHVDLACNEQ-UHFFFAOYSA-N
Mol Weight 503.41 g/mol
Molecular Formula C23H23BrN2O4S
Exact Mass 502.056191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 664p12OLMiM
Name 5-Bromo-3-[3-(tosylamino)prop-1-ynyl]indole-1-carboxylic acid tert-butyl ester
Alternate Name(s) 5-Bromo-3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]-1-indolecarboxylic acid tert-butyl ester tert-Butyl 5-bromanyl-3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate tert-Butyl 5-bromo-3-[3-(p-tolylsulfonylamino)prop-1-ynyl]indole-1-carboxylate tert-Butyl 5-bromo-3-[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate
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Formula C23H23BrN2O4S
InChI InChI=1S/C23H23BrN2O4S/c1-16-7-10-19(11-8-16)31(28,29)25-13-5-6-17-15-26(22(27)30-23(2,3)4)21-12-9-18(24)14-20(17)21/h7-12,14-15,25H,13H2,1-4H3
InChIKey VWRHWHVDLACNEQ-UHFFFAOYSA-N
Molecular Weight 503.411 g/mol
SMILES N(CC#Cc1c[n](c2c1cc(cc2)Br)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0abc-4920000000-efbb1792aea726488553
Source of Spectrum C5-2005-775-4
Wiley ID 1618176