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3-(4-Methylbenzyl)-5-tosyl-5H-pyrido[4,3-b]indole
SpectraBase Compound ID BIaXa11UHwP
InChI InChI=1S/C26H22N2O2S/c1-18-7-11-20(12-8-18)15-21-16-26-24(17-27-21)23-5-3-4-6-25(23)28(26)31(29,30)22-13-9-19(2)10-14-22/h3-14,16-17H,15H2,1-2H3
InChIKey KETYJDUHFFFSTI-UHFFFAOYSA-N
Mol Weight 426.53 g/mol
Molecular Formula C26H22N2O2S
Exact Mass 426.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iZS1XT16
Name 3-(4-Methylbenzyl)-5-tosyl-5H-pyrido[4,3-b]indole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22N2O2S
InChI InChI=1S/C26H22N2O2S/c1-18-7-11-20(12-8-18)15-21-16-26-24(17-27-21)23-5-3-4-6-25(23)28(26)31(29,30)22-13-9-19(2)10-14-22/h3-14,16-17H,15H2,1-2H3
InChIKey KETYJDUHFFFSTI-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.09.046
Molecular Weight 426.534 g/mol
SMILES c1(S([n]2c3c(cccc3)c3cnc(Cc4ccc(cc4)C)cc23)(=O)=O)ccc(C)cc1
SPLASH splash10-05fu-5090200000-f60fa61220de757c5872
Source of Spectrum F-71-8789-4g
Wiley ID 1803270