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1-Chloranyl-5-[(4-methylphenyl)sulfonylmethyl]-4-nitro-2-(trifluoromethyl)benzene
SpectraBase Compound ID BXWpVZan09e
InChI InChI=1S/C15H11ClF3NO4S/c1-9-2-4-11(5-3-9)25(23,24)8-10-6-13(16)12(15(17,18)19)7-14(10)20(21)22/h2-7H,8H2,1H3
InChIKey BGJSXRPMLMCWQW-UHFFFAOYSA-N
Mol Weight 393.76 g/mol
Molecular Formula C15H11ClF3NO4S
Exact Mass 393.004941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pouF3jpHk
Name 1-Chloranyl-5-[(4-methylphenyl)sulfonylmethyl]-4-nitro-2-(trifluoromethyl)benzene
Alternate Name(s) 1-Chloro-4-nitro-5-(p-tolylsulfonylmethyl)-2-(trifluoromethyl)benzene 1-Chloro-4-nitro-5-(tosylmethyl)-2-(trifluoromethyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11ClF3NO4S
InChI InChI=1S/C15H11ClF3NO4S/c1-9-2-4-11(5-3-9)25(23,24)8-10-6-13(16)12(15(17,18)19)7-14(10)20(21)22/h2-7H,8H2,1H3
InChIKey BGJSXRPMLMCWQW-UHFFFAOYSA-N
Molecular Weight 393.764 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)c1c(N(=O)=O)cc(c(c1)Cl)C(F)(F)F
SPLASH splash10-052f-9800000000-7d2be63bfe6a49c7cab7
Source of Spectrum J-60-5429-9
Wiley ID 1366144