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Benzenesulfonyl fluoride, 3-[[(2-amino-5-nitrophenyl)(methylsulfonyl)amino]sulfonyl]-
SpectraBase Compound ID BhUmWxaRmrv
InChI InChI=1S/C13H12FN3O8S3/c1-26(20,21)17(13-7-9(16(18)19)5-6-12(13)15)28(24,25)11-4-2-3-10(8-11)27(14,22)23/h2-8H,15H2,1H3
InChIKey FZGGGDDSVHWHDZ-UHFFFAOYSA-N
Mol Weight 453.43 g/mol
Molecular Formula C13H12FN3O8S3
Exact Mass 452.977056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4ss5kSk8Dh
Name Benzenesulfonyl fluoride, 3-[[(2-amino-5-nitrophenyl)(methylsulfonyl)amino]sulfonyl]-
Alternate Name(s) 3-(N-(2-amino-5-nitrophenyl)-N-(methylsulfonyl)sulfamoyl)benzene-1-sulfonyl fluoride 3-[(2-amino-5-nitrophenyl)(methylsulfonyl)sulfamoyl]benzenesulfonyl fluoride 3-[(2-amino-5-nitrophenyl)-methylsulfonylsulfamoyl]benzenesulfonyl fluoride 3-[(2-amino-5-nitro-phenyl)-methylsulfonyl-sulfamoyl]benzenesulfonyl fluoride 3-[(2-azanyl-5-nitro-phenyl)-methylsulfonyl-sulfamoyl]benzenesulfonyl fluoride
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Formula C13H12FN3O8S3
InChI InChI=1S/C13H12FN3O8S3/c1-26(20,21)17(13-7-9(16(18)19)5-6-12(13)15)28(24,25)11-4-2-3-10(8-11)27(14,22)23/h2-8H,15H2,1H3
InChIKey FZGGGDDSVHWHDZ-UHFFFAOYSA-N
Molecular Weight 453.430 g/mol
SMILES Nc1c(N(S(C)(=O)=O)S(=O)(=O)c2cccc(c2)S(F)(=O)=O)cc(cc1)[N+]([O-])=O
SPLASH splash10-0kji-9652000000-c25a9dc3db829f1073ca
Source of Spectrum JX-2015-4-641
Wiley ID 1726065