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Methanesulfonic acid 4-allyl-3-(4-toluenesulfonyl)-1H-indol-5-yl ester
SpectraBase Compound ID 1sMs9ijv9Fs
InChI InChI=1S/C19H19NO5S2/c1-4-5-15-17(25-26(3,21)22)11-10-16-19(15)18(12-20-16)27(23,24)14-8-6-13(2)7-9-14/h4,6-12,20H,1,5H2,2-3H3
InChIKey DISNYVLYFBWVGS-UHFFFAOYSA-N
Mol Weight 405.48 g/mol
Molecular Formula C19H19NO5S2
Exact Mass 405.070465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4OtukdR8kuf
Name Methanesulfonic acid 4-allyl-3-(4-toluenesulfonyl)-1H-indol-5-yl ester
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Formula C19H19NO5S2
InChI InChI=1S/C19H19NO5S2/c1-4-5-15-17(25-26(3,21)22)11-10-16-19(15)18(12-20-16)27(23,24)14-8-6-13(2)7-9-14/h4,6-12,20H,1,5H2,2-3H3
InChIKey DISNYVLYFBWVGS-UHFFFAOYSA-N
Molecular Weight 405.483 g/mol
SMILES [nH]1c2ccc(c(c2c(c1)S(c1ccc(cc1)C)(=O)=O)CC=C)OS(=O)(=O)C
SPLASH splash10-00di-0901100000-392ebdace1d77354f4d8
Source of Spectrum F-53-206-12
Synonyms 4-Allyl-3-[(4-methylphenyl)sulfonyl]-1H-indol-5-yl methanesulfonate Methanesulfonic acid [3-(4-methylphenyl)sulfonyl-4-prop-2-enyl-1H-indol-5-yl] ester [4-allyl-3-(p-tolylsulfonyl)-1H-indol-5-yl] methanesulfonate [3-(4-methylphenyl)sulfonyl-4-prop-2-enyl-1H-indol-5-yl] methanesulfonate
Wiley ID 799874