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4-(1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)-SPIRO[7-OXO-6-OXATRICYCLO[3.2.1.1(3,8)]NONANE-9,1'-CYCLOPROPANE] (DIASTEREOMER MIXTURE)

View entire compound with spectra: 1 NMR

4-(1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)-SPIRO[7-OXO-6-OXATRICYCLO[3.2.1.1(3,8)]NONANE-9,1'-CYCLOPROPANE] (DIASTEREOMER MIXTURE)
SpectraBase Compound ID 2x3LTEPeIPy
InChI InChI=1S/C13H14ClF3O2S/c14-4-7(13(15,16)17)20-10-6-3-5-8(12(6)1-2-12)9(10)19-11(5)18/h5-10H,1-4H2/t5?,6-,7?,8+,9-,10-/m0/s1
InChIKey CRJQFJFNTBSOBL-QXEJXXEBSA-N
Mol Weight 326.76 g/mol
Molecular Formula C13H14ClF3O2S
Exact Mass 326.035513 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUMgbe922Lw
Name 4-(1-TRIFLUOROMETHYL-2-CHLOROETHYLTHIO)-SPIRO[7-OXO-6-OXATRICYCLO[3.2.1.1(3,8)]NONANE-9,1'-CYCLOPROPANE] (DIASTEREOMER MIXTURE)
Comments C=10%. STEREO DESCRIPTORS ARE RELATIVE. DIASTEREOMER RATIO 1:1.2.;WP-200 (BRUKER)
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C13H14ClF3O2S
InChI InChI=1S/C13H14ClF3O2S/c14-4-7(13(15,16)17)20-10-6-3-5-8(12(6)1-2-12)9(10)19-11(5)18/h5-10H,1-4H2/t5?,6-,7?,8+,9-,10-/m0/s1
InChIKey CRJQFJFNTBSOBL-QXEJXXEBSA-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