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6,6-BIS(TRIFLUOROMETHYL)-4-(4-METHYLPHENYL)-2,2-CYCLOHEXANO-6H-1,3,5-OXATHIAZINE
SpectraBase Compound ID 8sOI2btc1qT
InChI InChI=1S/C17H17F6NOS/c1-11-5-7-12(8-6-11)13-24-15(16(18,19)20,17(21,22)23)25-14(26-13)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKey ITLPEAKSPAUVQK-UHFFFAOYSA-N
Mol Weight 397.38 g/mol
Molecular Formula C17H17F6NOS
Exact Mass 397.093504 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 95aMAR1ob3g
Name 6,6-BIS(TRIFLUOROMETHYL)-4-(4-METHYLPHENYL)-2,2-CYCLOHEXANO-6H-1,3,5-OXATHIAZINE
Comments THERE IS NO INDICATION TO SCALE DIRECTION, BUT FROM ANALYSIS OF WORKS;HA-60 (VARIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H17F6NOS
InChI InChI=1S/C17H17F6NOS/c1-11-5-7-12(8-6-11)13-24-15(16(18,19)20,17(21,22)23)25-14(26-13)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKey ITLPEAKSPAUVQK-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference K.BURGER, R.OTTLINGER (1978) J.Fluor.Chem.: v.11, N1, 29-38.
NMR Standard CF3COOH
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl