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4,4,4-Trifluoro-3-(toluenesulfonylamino)-1,1-bis(phenylsulfonyl)butane
SpectraBase Compound ID 1VK26rx4qQy
InChI InChI=1S/C23H22F3NO6S3/c1-17-10-8-9-15-20(17)36(32,33)27-21(23(24,25)26)16-22(34(28,29)18-11-4-2-5-12-18)35(30,31)19-13-6-3-7-14-19/h2-15,21-22,27H,16H2,1H3
InChIKey KIXGKZHNBCONQI-UHFFFAOYSA-N
Mol Weight 561.61 g/mol
Molecular Formula C23H22F3NO6S3
Exact Mass 561.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vaHMSkP5p
Name 4,4,4-Trifluoro-3-(toluenesulfonylamino)-1,1-bis(phenylsulfonyl)butane
Alternate Name(s) 2-Methyl-N-(1,1,1-trifluoro-4,4-bis(phenylsulfonyl)butan-2-yl)benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22F3NO6S3
InChI InChI=1S/C23H22F3NO6S3/c1-17-10-8-9-15-20(17)36(32,33)27-21(23(24,25)26)16-22(34(28,29)18-11-4-2-5-12-18)35(30,31)19-13-6-3-7-14-19/h2-15,21-22,27H,16H2,1H3
InChIKey KIXGKZHNBCONQI-UHFFFAOYSA-N
Molecular Weight 561.605 g/mol
SMILES N(S(c1c(C)cccc1)(=O)=O)C(CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)C(F)(F)F
SPLASH splash10-01r6-9850000000-c471d92de8b7bc77c3a9
Source of Spectrum F-69-7454-7c
Wiley ID 1738280