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2-(4-METHOXYPHENYL)-4,4-DITRIFLUOROMETHYL-6-PHENYL-4H-1,3,5-DIOXAZINE
SpectraBase Compound ID LbsAH6fdL0i
InChI InChI=1S/C18H13F6NO3/c1-26-13-9-7-12(8-10-13)15-27-14(11-5-3-2-4-6-11)25-16(28-15,17(19,20)21)18(22,23)24/h2-10,15H,1H3
InChIKey VUESWNVGHKMHOB-UHFFFAOYSA-N
Mol Weight 405.3 g/mol
Molecular Formula C18H13F6NO3
Exact Mass 405.079962 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3dqBtNA9Oa
Name 2-(4-METHOXYPHENYL)-4,4-DITRIFLUOROMETHYL-6-PHENYL-4H-1,3,5-DIOXAZINE
Comments SCALE INVERTED;H-60 (HITACHI)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H13F6NO3
InChI InChI=1S/C18H13F6NO3/c1-26-13-9-7-12(8-10-13)15-27-14(11-5-3-2-4-6-11)25-16(28-15,17(19,20)21)18(22,23)24/h2-10,15H,1H3
InChIKey VUESWNVGHKMHOB-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference Z.V.SAFRONOVA, L.A.SIMONYAN, YU.V.ZEIFMAN, N.P.GAMBARYAN (1979) Izv.Akad.NaukSSSR(Russ. Lang.): N8, 1826-1830.
NMR Standard -CF3COOH external
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4 carbon tetrachl