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6-tert-Butyl-2,2-dimethyl-8-(2,2,2-trifluoro-1-hydroxy-1-[trifluoro-methyl]-ethyl)-4,4-bis(trifluoromethyl)-4H-3,1-benzoxat

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6-tert-Butyl-2,2-dimethyl-8-(2,2,2-trifluoro-1-hydroxy-1-[trifluoro-methyl]-ethyl)-4,4-bis(trifluoromethyl)-4H-3,1-benzoxat
SpectraBase Compound ID 9kM9Jc4my4a
InChI InChI=1S/C19H18F12O2S/c1-12(2,3)8-6-9(14(32,16(20,21)22)17(23,24)25)11-10(7-8)15(18(26,27)28,19(29,30)31)33-13(4,5)34-11/h6-7,32H,1-5H3
InChIKey HVUKONQLPAUQRK-UHFFFAOYSA-N
Mol Weight 538.39 g/mol
Molecular Formula C19H18F12O2S
Exact Mass 538.083589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42aw8Jq1vht
Name 6-tert-Butyl-2,2-dimethyl-8-(2,2,2-trifluoro-1-hydroxy-1-[trifluoro-methyl]-ethyl)-4,4-bis(trifluoromethyl)-4H-3,1-benzoxat
CAS Registry Number 84649-63-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H18F12O2S
InChI InChI=1S/C19H18F12O2S/c1-12(2,3)8-6-9(14(32,16(20,21)22)17(23,24)25)11-10(7-8)15(18(26,27)28,19(29,30)31)33-13(4,5)34-11/h6-7,32H,1-5H3
InChIKey HVUKONQLPAUQRK-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 CDCl3