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[2-(benzenesulfonylmethyl)-5-nitrophenyl]-pentafluoro-$l^{6}-sulfane
SpectraBase Compound ID 5PgbDFvAL6e
InChI InChI=1S/C13H10F5NO4S2/c14-25(15,16,17,18)13-8-11(19(20)21)7-6-10(13)9-24(22,23)12-4-2-1-3-5-12/h1-8H,9H2
InChIKey IHTQRXRJKZCTNG-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 1l88BlOHlmy
Name [2-(benzenesulfonylmethyl)-5-nitrophenyl]-pentafluoro-$l^{6}-sulfane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10F5NO4S2
InChI InChI=1S/C13H10F5NO4S2/c14-25(15,16,17,18)13-8-11(19(20)21)7-6-10(13)9-24(22,23)12-4-2-1-3-5-12/h1-8H,9H2
InChIKey IHTQRXRJKZCTNG-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200618p
Molecular Weight 403.338 g/mol
SMILES c1(S(F)(F)(F)(F)F)cc([N+](=O)[O-])ccc1CS(c1ccccc1)(=O)=O
SPLASH splash10-054o-8940000000-a297e37a54f3d1de1f6f
Source of Spectrum J-76-4784-6a
Synonyms [2-(benzenesulfonylmethyl)-5-nitro-phenyl]-pentafluoro-$l^{6}-sulfane Pentakis(fluoranyl)-[5-nitro-2-(phenylsulfonylmethyl)phenyl]-$l^{6}-sulfane
Wiley ID 1744829