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6,6-BIS(TRIFLUOROMETHYL)-4-(4-METHYLPHENYL)-2-(3-NITROPHENYL)-6H-1,3,5-OXATHIAZINE
SpectraBase Compound ID HBM5cTCVwT6
InChI InChI=1S/C18H12F6N2O3S/c1-10-5-7-11(8-6-10)14-25-16(17(19,20)21,18(22,23)24)29-15(30-14)12-3-2-4-13(9-12)26(27)28/h2-9,15H,1H3
InChIKey JHXZDGHJUIJLTO-UHFFFAOYSA-N
Mol Weight 450.36 g/mol
Molecular Formula C18H12F6N2O3S
Exact Mass 450.047282 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GMI9aG8QS4y
Name 6,6-BIS(TRIFLUOROMETHYL)-4-(4-METHYLPHENYL)-2-(3-NITROPHENYL)-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 C18H12F6N2O3S
InChI InChI=1S/C18H12F6N2O3S/c1-10-5-7-11(8-6-10)14-25-16(17(19,20)21,18(22,23)24)29-15(30-14)12-3-2-4-13(9-12)26(27)28/h2-9,15H,1H3
InChIKey JHXZDGHJUIJLTO-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