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4-(1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)-6-OXATRICYCLO[3.2.1.1(3,8)]NONAN-7-ONE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID 2FBEYgv1ayp
InChI InChI=1S/C11H12ClF3O2S/c12-3-7(11(13,14)15)18-9-4-1-5-6(2-4)10(16)17-8(5)9/h4-9H,1-3H2/t4-,5+,6?,7?,8-,9-/m0/s1
InChIKey PHZHBRBWSFVGGP-YPHLGKNOSA-N
Mol Weight 300.72 g/mol
Molecular Formula C11H12ClF3O2S
Exact Mass 300.019863 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID VAyn952xsX
Name 4-(1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)-6-OXATRICYCLO[3.2.1.1(3,8)]NONAN-7-ONE (DIASTEREOMER MIXTURE)
Comments C=10%. STEREO DESCRIPTORS ARE RELATIVE. DIASTEREOMER RATIO 1:2.2.;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H12ClF3O2S
InChI InChI=1S/C11H12ClF3O2S/c12-3-7(11(13,14)15)18-9-4-1-5-6(2-4)10(16)17-8(5)9/h4-9H,1-3H2/t4-,5+,6?,7?,8-,9-/m0/s1
InChIKey PHZHBRBWSFVGGP-YPHLGKNOSA-N
Instrument Name SEE COMMENT
Literature Reference A.YU.SIZOV, V.V.LINEV, N.V.KONDRASHOV, A.F.KOLOMIETS, A.V.FOKIN (1990)Izv.Akad.Nauk SSSR(Russ. Lang.): N1, 150-155.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d