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Methanesulfonic acid 4-allyl-1-methyl-3-(4-toluenesulfonyl)-1H-indol-5-yl ester
SpectraBase Compound ID FR6BBUGu4o7
InChI InChI=1S/C20H21NO5S2/c1-5-6-16-18(26-27(4,22)23)12-11-17-20(16)19(13-21(17)3)28(24,25)15-9-7-14(2)8-10-15/h5,7-13H,1,6H2,2-4H3
InChIKey WJXHQOKXTBDFLN-UHFFFAOYSA-N
Mol Weight 419.51 g/mol
Molecular Formula C20H21NO5S2
Exact Mass 419.086115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DE70KPKIh1g
Name Methanesulfonic acid 4-allyl-1-methyl-3-(4-toluenesulfonyl)-1H-indol-5-yl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO5S2
InChI InChI=1S/C20H21NO5S2/c1-5-6-16-18(26-27(4,22)23)12-11-17-20(16)19(13-21(17)3)28(24,25)15-9-7-14(2)8-10-15/h5,7-13H,1,6H2,2-4H3
InChIKey WJXHQOKXTBDFLN-UHFFFAOYSA-N
Molecular Weight 419.510 g/mol
SMILES c1(S(c2ccc(cc2)C)(=O)=O)c2c(ccc(c2CC=C)OS(=O)(=O)C)[n](c1)C
SPLASH splash10-000i-0910000000-feb3e63f4a496ace3bc6
Source of Spectrum F-53-205-9
Synonyms 4-Allyl-1-methyl-3-[(4-methylphenyl)sulfonyl]-1H-indol-5-yl methanesulfonate Methanesulfonic acid [1-methyl-3-(4-methylphenyl)sulfonyl-4-prop-2-enyl-5-indolyl] ester [1-methyl-3-(4-methylphenyl)sulfonyl-4-prop-2-enylindol-5-yl] methanesulfonate [4-allyl-1-methyl-3-(p-tolylsulfonyl)indol-5-yl] methanesulfonate [1-methyl-3-(4-methylphenyl)sulfonyl-4-prop-2-enyl-indol-5-yl] methanesulfonate
Wiley ID 799875