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3-(3-Methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(2-phenylethynyl)indole
SpectraBase Compound ID 9wh4HUpjksH
InChI InChI=1S/C30H23NO3S/c1-22-11-16-27(17-12-22)35(32,33)31-21-29(25-9-6-10-26(20-25)34-2)28-19-24(15-18-30(28)31)14-13-23-7-4-3-5-8-23/h3-12,15-21H,1-2H3
InChIKey JFRCIGKCGCSLJF-UHFFFAOYSA-N
Mol Weight 477.58 g/mol
Molecular Formula C30H23NO3S
Exact Mass 477.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IOlaidYr7x
Name 3-(3-Methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-(2-phenylethynyl)indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H23NO3S
InChI InChI=1S/C30H23NO3S/c1-22-11-16-27(17-12-22)35(32,33)31-21-29(25-9-6-10-26(20-25)34-2)28-19-24(15-18-30(28)31)14-13-23-7-4-3-5-8-23/h3-12,15-21H,1-2H3
InChIKey JFRCIGKCGCSLJF-UHFFFAOYSA-N
Molecular Weight 477.578 g/mol
SMILES c1[n](c2ccc(cc2c1-c1cc(ccc1)OC)C#Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-00di-1019400000-d99df641d2e2413058fc
Source of Spectrum C5-2005-779-13
Synonyms 3-(3-Methoxyphenyl)-5-(2-phenylethynyl)-1-(p-tolylsulfonyl)indole 3-(3-Methoxyphenyl)-5-(2-phenylethynyl)-1-tosyl-indole
Wiley ID 1618251