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2-(Pentafluorosulfanyl)-1,4-benzoquinone
SpectraBase Compound ID 3Al54BOCcxM
InChI InChI=1S/C6H3F5O2S/c7-14(8,9,10,11)6-3-4(12)1-2-5(6)13/h1-3H
InChIKey SQHLYCPWTFYGTA-UHFFFAOYSA-N
Mol Weight 234.14 g/mol
Molecular Formula C6H3F5O2S
Exact Mass 233.977391 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jx6vwv7WOzO
Name 2-(Pentafluorosulfanyl)-1,4-benzoquinone
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H3F5O2S
InChI InChI=1S/C6H3F5O2S/c7-14(8,9,10,11)6-3-4(12)1-2-5(6)13/h1-3H
InChIKey SQHLYCPWTFYGTA-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.12.12
Molecular Weight 234.140 g/mol
Reported Formula C6H3F5O2S
SMILES C1(=O)C=CC(=O)C=C1S(F)(F)(F)(F)F
SPLASH splash10-0zir-9320000000-013d794f9ac0a2789936
Source of Spectrum BJO-12-SM3-12
Thin-Layer Chromatography Rf = 0.44 (petroleum ether/DCM, 1:1)
Wiley ID 1851693