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4-Allyl-1-methanesulfonyl-3-(4-toluenesulfonyl)-1H-indol-5-ol
SpectraBase Compound ID 5IthGGFreeu
InChI InChI=1S/C19H19NO5S2/c1-4-5-15-17(21)11-10-16-19(15)18(12-20(16)26(3,22)23)27(24,25)14-8-6-13(2)7-9-14/h4,6-12,21H,1,5H2,2-3H3
InChIKey LGTWIJSWYMNFHW-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 B9pp9IpPCl1
Name 4-Allyl-1-methanesulfonyl-3-(4-toluenesulfonyl)-1H-indol-5-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO5S2
InChI InChI=1S/C19H19NO5S2/c1-4-5-15-17(21)11-10-16-19(15)18(12-20(16)26(3,22)23)27(24,25)14-8-6-13(2)7-9-14/h4,6-12,21H,1,5H2,2-3H3
InChIKey LGTWIJSWYMNFHW-UHFFFAOYSA-N
Molecular Weight 405.483 g/mol
SMILES Oc1c(c2c(S(c3ccc(cc3)C)(=O)=O)c[n](S(=O)(=O)C)c2cc1)CC=C
SPLASH splash10-00di-0900300000-69a924d05c3305f7d2e8
Source of Spectrum F-53-205-8
Synonyms 4-Allyl-3-[(4-methylphenyl)sulfonyl]-1-(methylsulfonyl)-1H-indol-5-ol 3-(4-Methylphenyl)sulfonyl-1-methylsulfonyl-4-prop-2-enyl-5-indolol 3-(4-Methylphenyl)sulfonyl-1-methylsulfonyl-4-prop-2-enylindol-5-ol 4-Allyl-1-methylsulfonyl-3-(p-tolylsulfonyl)indol-5-ol 3-(4-Methylphenyl)sulfonyl-1-methylsulfonyl-4-prop-2-enyl-indol-5-ol
Wiley ID 799876