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2-METHOXYCARBONYL-4-(1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)-6-OXATRICYCLO[3.2.1.1(3,8)]NONAN-7-ONE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID KsX8bc8XLS6
InChI InChI=1S/C13H14ClF3O4S/c1-20-11(18)8-5-2-4-7(8)12(19)21-9(4)10(5)22-6(3-14)13(15,16)17/h4-10H,2-3H2,1H3/t4-,5+,6?,7-,8+,9+,10+/m1/s1
InChIKey UCCNUIGPFDBBFN-WFOFDXMLSA-N
Mol Weight 358.76 g/mol
Molecular Formula C13H14ClF3O4S
Exact Mass 358.025342 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HGdIPwNCeYi
Name 2-METHOXYCARBONYL-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 2.3:1.;WP-200 (BRUKER)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14ClF3O4S
InChI InChI=1S/C13H14ClF3O4S/c1-20-11(18)8-5-2-4-7(8)12(19)21-9(4)10(5)22-6(3-14)13(15,16)17/h4-10H,2-3H2,1H3/t4-,5+,6?,7-,8+,9+,10+/m1/s1
InChIKey UCCNUIGPFDBBFN-WFOFDXMLSA-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