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[4-(benzenesulfonylmethyl)-3-nitrophenyl]-pentafluoro-$l^{6}-sulfane
SpectraBase Compound ID EnFaluXiIrj
InChI InChI=1S/C13H10F5NO4S2/c14-25(15,16,17,18)12-7-6-10(13(8-12)19(20)21)9-24(22,23)11-4-2-1-3-5-11/h1-8H,9H2
InChIKey LRPZKQSJKGKUSQ-UHFFFAOYSA-N
Mol Weight 403.34 g/mol
Molecular Formula C13H10F5NO4S2
Exact Mass 402.997141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CPhb4bI00
Name [4-(benzenesulfonylmethyl)-3-nitrophenyl]-pentafluoro-$l^{6}-sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10F5NO4S2
InChI InChI=1S/C13H10F5NO4S2/c14-25(15,16,17,18)12-7-6-10(13(8-12)19(20)21)9-24(22,23)11-4-2-1-3-5-11/h1-8H,9H2
InChIKey LRPZKQSJKGKUSQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200618p
Molecular Weight 403.338 g/mol
SMILES c1(S(F)(F)(F)(F)F)cc([N+](=O)[O-])c(CS(c2ccccc2)(=O)=O)cc1
SPLASH splash10-01tc-8490000000-5c408272b57a57e0bc4c
Source of Spectrum J-76-4784-5a
Synonyms [4-(benzenesulfonylmethyl)-3-nitro-phenyl]-pentafluoro-$l^{6}-sulfane Pentakis(fluoranyl)-[3-nitro-4-(phenylsulfonylmethyl)phenyl]-$l^{6}-sulfane
Wiley ID 1744823