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2-[2-nitro-5-(pentafluoro-$l^{6}-sulfanyl)phenyl]acetonitrile
SpectraBase Compound ID IN7ZkZWSO7h
InChI InChI=1S/C8H5F5N2O2S/c9-18(10,11,12,13)7-1-2-8(15(16)17)6(5-7)3-4-14/h1-2,5H,3H2
InChIKey PXHIIPXQJANHFL-UHFFFAOYSA-N
Mol Weight 288.19 g/mol
Molecular Formula C8H5F5N2O2S
Exact Mass 287.999189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2K7F59QYwRI
Name 2-[2-nitro-5-(pentafluoro-$l^{6}-sulfanyl)phenyl]acetonitrile
Alternate Name(s) 2-[2-nitro-5-[pentakis(fluoranyl)-$l^{6}-sulfanyl]phenyl]ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5F5N2O2S
InChI InChI=1S/C8H5F5N2O2S/c9-18(10,11,12,13)7-1-2-8(15(16)17)6(5-7)3-4-14/h1-2,5H,3H2
InChIKey PXHIIPXQJANHFL-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo200618p
Molecular Weight 288.192 g/mol
SMILES c1(S(F)(F)(F)(F)F)cc(c(cc1)[N+](=O)[O-])CC#N
SPLASH splash10-03di-2980000000-83a4636f788e7e8b05b8
Source of Spectrum J-76-4784-4g
Wiley ID 1744820