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5-Methoxy-1-(4-methylphenyl)sulfonyl-3-(2-phenylethynyl)indole
SpectraBase Compound ID pONlCiMe3s
InChI InChI=1S/C24H19NO3S/c1-18-8-13-22(14-9-18)29(26,27)25-17-20(11-10-19-6-4-3-5-7-19)23-16-21(28-2)12-15-24(23)25/h3-9,12-17H,1-2H3
InChIKey AYPQVWVUURPYTN-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C24H19NO3S
Exact Mass 401.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9OxIOm0KQYJ
Name 5-Methoxy-1-(4-methylphenyl)sulfonyl-3-(2-phenylethynyl)indole
Alternate Name(s) 5-Methoxy-3-(2-phenylethynyl)-1-(p-tolylsulfonyl)indole 5-Methoxy-3-(2-phenylethynyl)-1-tosyl-indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H19NO3S
InChI InChI=1S/C24H19NO3S/c1-18-8-13-22(14-9-18)29(26,27)25-17-20(11-10-19-6-4-3-5-7-19)23-16-21(28-2)12-15-24(23)25/h3-9,12-17H,1-2H3
InChIKey AYPQVWVUURPYTN-UHFFFAOYSA-N
Molecular Weight 401.480 g/mol
SMILES c1[n](c2ccc(cc2c1C#Cc1ccccc1)OC)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0f6t-0090400000-7892ff33853d3bb73819
Source of Spectrum C5-2005-775-4
Wiley ID 1618177