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6,6-BIS(TRIFLUOROMETHYL)-4-(4-CHLOROPHENYL)-2-(4-METHOXYPHENYL)-6H-1,3,5-OXATHIAZINE
SpectraBase Compound ID 6t3AfHfcuIj
InChI InChI=1S/C18H12ClF6NO2S/c1-27-13-8-4-11(5-9-13)15-28-16(17(20,21)22,18(23,24)25)26-14(29-15)10-2-6-12(19)7-3-10/h2-9,15H,1H3
InChIKey AQPMNLCKYZKVSI-UHFFFAOYSA-N
Mol Weight 455.8 g/mol
Molecular Formula C18H12ClF6NO2S
Exact Mass 455.018146 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vuIM0NFPuI
Name 6,6-BIS(TRIFLUOROMETHYL)-4-(4-CHLOROPHENYL)-2-(4-METHOXYPHENYL)-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 C18H12ClF6NO2S
InChI InChI=1S/C18H12ClF6NO2S/c1-27-13-8-4-11(5-9-13)15-28-16(17(20,21)22,18(23,24)25)26-14(29-15)10-2-6-12(19)7-3-10/h2-9,15H,1H3
InChIKey AQPMNLCKYZKVSI-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 CDCl3 chloroform-d