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4-tert-Butyl-1-hydroxy-1-oxo-2,2,6,6-tetrakis(trifluoromethyl)-8-/lamda-4/-(1,2)oxathiolo(4,3,2-hi)(2,1)benzoxathiol anion

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4-tert-Butyl-1-hydroxy-1-oxo-2,2,6,6-tetrakis(trifluoromethyl)-8-/lamda-4/-(1,2)oxathiolo(4,3,2-hi)(2,1)benzoxathiol anion
SpectraBase Compound ID 9ptrrAz5sPW
InChI InChI=1S/C16H12F12O4S/c1-10(2,3)6-4-7-9-8(5-6)12(15(23,24)25,16(26,27)28)32-33(9,29,30)31-11(7,13(17,18)19)14(20,21)22/h4-5H,1-3H3,(H,29,30)/p-1
InChIKey IOKOEAYDFSXSQD-UHFFFAOYSA-M
Mol Weight 527.3 g/mol
Molecular Formula C16H11F12O4S
Exact Mass 527.018643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Ti1cAxZbrC
Name 4-tert-Butyl-1-hydroxy-1-oxo-2,2,6,6-tetrakis(trifluoromethyl)-8-/lamda-4/-(1,2)oxathiolo(4,3,2-hi)(2,1)benzoxathiol anion
CAS Registry Number 84649-56-9
Comments TETRAETHYLAMMONIUM SALT
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H11F12O4S
InChI InChI=1S/C16H12F12O4S/c1-10(2,3)6-4-7-9-8(5-6)12(15(23,24)25,16(26,27)28)32-33(9,29,30)31-11(7,13(17,18)19)14(20,21)22/h4-5H,1-3H3,(H,29,30)/p-1
InChIKey IOKOEAYDFSXSQD-UHFFFAOYSA-M
Literature Reference C.W. Perkins, S.R. Wilson, J.C.Martin, J. Am. Chem. Soc. 107, 3209 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6