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2,6-Bis(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoro-ethyl)-4-tert-butyl-benzenethiol
SpectraBase Compound ID 6Azbn9puW2q
InChI InChI=1S/C16H14F12O2S/c1-10(2,3)6-4-7(11(29,13(17,18)19)14(20,21)22)9(31)8(5-6)12(30,15(23,24)25)16(26,27)28/h4-5,29-31H,1-3H3
InChIKey KMTSNMKHNRGHEY-UHFFFAOYSA-N
Mol Weight 498.33 g/mol
Molecular Formula C16H14F12O2S
Exact Mass 498.052289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtuJnIhDxuz
Name 2,6-Bis(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoro-ethyl)-4-tert-butyl-benzenethiol
CAS Registry Number 96129-83-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H14F12O2S
InChI InChI=1S/C16H14F12O2S/c1-10(2,3)6-4-7(11(29,13(17,18)19)14(20,21)22)9(31)8(5-6)12(30,15(23,24)25)16(26,27)28/h4-5,29-31H,1-3H3
InChIKey KMTSNMKHNRGHEY-UHFFFAOYSA-N
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