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3,5-bis[3-(tosylamino)prop-1-ynyl]indole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID XMYR1VOfoY
InChI InChI=1S/C33H33N3O6S2/c1-24-10-15-28(16-11-24)43(38,39)34-20-6-8-26-14-19-31-30(22-26)27(23-36(31)32(37)42-33(3,4)5)9-7-21-35-44(40,41)29-17-12-25(2)13-18-29/h10-19,22-23,34-35H,20-21H2,1-5H3
InChIKey SFJABQPJPBFFLY-UHFFFAOYSA-N
Mol Weight 631.8 g/mol
Molecular Formula C33H33N3O6S2
Exact Mass 631.181078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57lMWWGpoJf
Name 3,5-bis[3-(tosylamino)prop-1-ynyl]indole-1-carboxylic acid tert-butyl ester
Alternate Name(s) 3,5-bis[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]-1-indolecarboxylic acid tert-butyl ester tert-Butyl 3,5-bis[3-(p-tolylsulfonylamino)prop-1-ynyl]indole-1-carboxylate tert-Butyl 3,5-bis[3-[(4-methylphenyl)sulfonylamino]prop-1-ynyl]indole-1-carboxylate
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Formula C33H33N3O6S2
InChI InChI=1S/C33H33N3O6S2/c1-24-10-15-28(16-11-24)43(38,39)34-20-6-8-26-14-19-31-30(22-26)27(23-36(31)32(37)42-33(3,4)5)9-7-21-35-44(40,41)29-17-12-25(2)13-18-29/h10-19,22-23,34-35H,20-21H2,1-5H3
InChIKey SFJABQPJPBFFLY-UHFFFAOYSA-N
Molecular Weight 631.762 g/mol
SMILES N(CC#Cc1cc2c([n](cc2C#CCNS(=O)(=O)c2ccc(cc2)C)C(=O)OC(C)(C)C)cc1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0a4i-9300000000-f4b5d206a70acb4e7de3
Source of Spectrum C5-2005-776-7
Wiley ID 1618266